
 CHEMBL3427232

 55 57  0  0  0  0  0  0  0  0999 V2000
    3.0002   -0.5509    1.8093 C   0  0  0  0  0
    2.3238   -1.9148    1.8957 C   0  0  0  0  0
    1.8935   -2.2455    3.3256 C   0  0  0  0  0
    0.5883   -2.9856    3.1384 C   0  0  0  0  0
   -0.0265   -2.2460    1.9675 C   0  0  0  0  0
    1.0957   -1.9314    1.0631 N   0  0  0  0  0
    1.1717   -2.9203   -0.0322 C   0  0  0  0  0
    2.2381   -2.5786   -1.0909 C   0  0  0  0  0
    2.3147   -3.5865   -2.2172 C   0  0  0  0  0
    2.2183   -3.1678   -3.5471 C   0  0  0  0  0
    2.3554   -4.0858   -4.5971 C   0  0  0  0  0
    2.5843   -5.4521   -4.3588 C   0  0  0  0  0
    2.6662   -5.8576   -3.0160 C   0  0  0  0  0
    2.5493   -4.9408   -1.9632 C   0  0  0  0  0
    2.7578   -6.4165   -5.4719 C   0  0  0  0  0
    3.6626   -7.4895   -5.3779 C   0  0  0  0  0
    3.8424   -8.3942   -6.4304 C   0  0  0  0  0
    3.1257   -8.2495   -7.6204 C   0  0  0  0  0
    2.2259   -7.1873   -7.7361 C   0  0  0  0  0
    2.0403   -6.2924   -6.6745 C   0  0  0  0  0
    3.3482   -9.1989   -8.7700 C   0  0  0  0  0
    4.5171   -8.7576   -9.6416 C   0  0  0  0  0
    4.7249   -9.7461  -10.7540 C   0  0  0  0  0
    3.9015   -9.9826  -11.6284 O   0  0  0  0  0
    5.9430  -10.3445  -10.6427 O   0  0  0  0  0
    6.2210  -11.3069  -11.6620 C   0  0  0  0  0
    3.3028   -0.3250    0.7817 H   0  0  0  0  0
    3.8974   -0.5269    2.4364 H   0  0  0  0  0
    2.3338    0.2508    2.1465 H   0  0  0  0  0
    3.0377   -2.6852    1.5769 H   0  0  0  0  0
    1.7238   -1.3366    3.9165 H   0  0  0  0  0
    2.6356   -2.8576    3.8492 H   0  0  0  0  0
    0.7762   -4.0343    2.8808 H   0  0  0  0  0
   -0.0388   -2.9544    4.0332 H   0  0  0  0  0
   -0.8366   -2.8130    1.4965 H   0  0  0  0  0
   -0.4592   -1.2998    2.3161 H   0  0  0  0  0
    0.2009   -2.9511   -0.5460 H   0  0  0  0  0
    1.3391   -3.9238    0.3792 H   0  0  0  0  0
    3.2375   -2.5185   -0.6445 H   0  0  0  0  0
    2.0216   -1.5829   -1.4982 H   0  0  0  0  0
    2.0534   -2.1198   -3.7840 H   0  0  0  0  0
    2.3044   -3.7058   -5.6157 H   0  0  0  0  0
    2.8264   -6.9040   -2.7655 H   0  0  0  0  0
    2.6555   -5.3044   -0.9437 H   0  0  0  0  0
    4.2617   -7.6265   -4.4793 H   0  0  0  0  0
    4.5558   -9.2076   -6.3116 H   0  0  0  0  0
    1.6570   -7.0444   -8.6531 H   0  0  0  0  0
    1.3136   -5.4923   -6.8016 H   0  0  0  0  0
    2.4308   -9.2737   -9.3686 H   0  0  0  0  0
    3.5245  -10.2098   -8.3798 H   0  0  0  0  0
    5.4346   -8.6711   -9.0468 H   0  0  0  0  0
    4.3415   -7.7729  -10.0905 H   0  0  0  0  0
    7.1430  -11.8281  -11.3920 H   0  0  0  0  0
    6.3733  -10.8023  -12.6212 H   0  0  0  0  0
    5.4175  -12.0462  -11.7352 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 47  1  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 26 53  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3427232

>  <PubChem CID>
78324787

>  <Formula>
C23H29NO2

>  <Molecular Weight>
351.490000

>  <IUPAC Name>
methyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)CCC(=O)OC

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)CCC(=O)OC

>  <InChI Std. ID>
InChI=1S/C23H29NO2/c1-18-4-3-16-24(18)17-15-20-7-12-22(13-8-20)21-10-5-19(6-11-21)9-14-23(25)26-2/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3/t18-/m1/s1

>  <InChI Key>
AAZRUJBRNBEHMO-GOSISDBHSA-N

