
 UPCMLD04BGHW001051

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.8112   -0.0882   -2.6555 C   0  0  0  0  0
    2.0276    0.6281   -2.4425 O   0  0  0  0  0
    2.7998    0.1100   -1.4526 C   0  0  0  0  0
    2.5354   -0.8756   -0.7767 O   0  0  0  0  0
    4.0718    0.8606   -1.3112 C   0  0  0  0  0
    4.9071    0.7666   -0.0561 C   0  0  0  0  0
    5.3769    0.0810   -1.3165 C   0  0  0  0  0
    6.5555    0.6062   -2.0973 C   0  0  0  0  0
    7.8065   -0.2135   -1.8291 C   0  0  0  0  0
    7.8709   -1.5918   -2.1005 C   0  0  0  0  0
    9.0383   -2.3162   -1.8504 C   0  0  0  0  0
   10.1614   -1.6737   -1.3356 C   0  0  0  0  0
   10.1197   -0.3068   -1.0727 C   0  0  0  0  0
    8.9521    0.4185   -1.3187 C   0  0  0  0  0
    6.2297    0.5835   -3.5086 N   0  0  0  0  0
    6.2221    1.7289   -4.2722 C   0  0  0  0  0
    6.4483    2.8469   -3.8231 O   0  0  0  0  0
    5.8616    1.5636   -5.7071 C   0  0  0  0  0
    6.1248    0.3830   -6.4140 C   0  0  0  0  0
    5.7460    0.2738   -7.7546 C   0  0  0  0  0
    5.1163    1.3418   -8.3942 C   0  0  0  0  0
    4.8736    2.5269   -7.7012 C   0  0  0  0  0
    5.2498    2.6402   -6.3622 C   0  0  0  0  0
    0.2768    0.3880   -3.4822 H   0  0  0  0  0
    0.1795   -0.0444   -1.7625 H   0  0  0  0  0
    1.0188   -1.1273   -2.9325 H   0  0  0  0  0
    4.0744    1.8255   -1.8124 H   0  0  0  0  0
    4.5511    0.1408    0.7558 H   0  0  0  0  0
    5.4203    1.6626    0.2750 H   0  0  0  0  0
    5.2887   -0.9998   -1.3492 H   0  0  0  0  0
    6.7423    1.6433   -1.7933 H   0  0  0  0  0
    7.0100   -2.1171   -2.5061 H   0  0  0  0  0
    9.0709   -3.3827   -2.0577 H   0  0  0  0  0
   11.0703   -2.2372   -1.1423 H   0  0  0  0  0
   10.9978    0.1981   -0.6784 H   0  0  0  0  0
    8.9444    1.4880   -1.1157 H   0  0  0  0  0
    5.9442   -0.2962   -3.9080 H   0  0  0  0  0
    6.6466   -0.4481   -5.9490 H   0  0  0  0  0
    5.9505   -0.6415   -8.3050 H   0  0  0  0  0
    4.8238    1.2549   -9.4378 H   0  0  0  0  0
    4.3943    3.3643   -8.2021 H   0  0  0  0  0
    5.0610    3.5688   -5.8268 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8 15  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
UPCMLD04BGHW001051

>  <PubChem CID>
3247333

>  <Formula>
C19H19NO3

>  <Molecular Weight>
309.365000

>  <IUPAC Name>
methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC(=O)C1CC1C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
COC(=O)[C@@H]1C[C@H]1[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H19NO3/c1-23-19(22)16-12-15(16)17(13-8-4-2-5-9-13)20-18(21)14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3,(H,20,21)/t15-,16-,17+/m1/s1

>  <InChI Key>
ACRQUHIUPAZNMP-ZACQAIPSSA-N

