
 DEXTRO-CAMPHORIC P-PHENETIDIDE

 48 49  0  0  0  0  0  0  0  0999 V2000
   10.9259   -3.9341    6.2038 C   0  0  0  0  0
   10.5821   -3.2911    4.8719 C   0  0  0  0  0
   11.6212   -2.3715    4.5406 O   0  0  0  0  0
   11.5528   -1.7706    3.3145 C   0  0  0  0  0
   10.5244   -1.9120    2.3862 C   0  0  0  0  0
   10.5926   -1.2490    1.1529 C   0  0  0  0  0
   11.6786   -0.4233    0.8358 C   0  0  0  0  0
   12.6995   -0.2768    1.7732 C   0  0  0  0  0
   12.6349   -0.9474    3.0015 C   0  0  0  0  0
   11.6596    0.2128   -0.4243 N   0  0  0  0  0
   12.5273    1.1908   -0.8862 C   0  0  0  0  0
   13.4846    1.6497   -0.2729 O   0  0  0  0  0
   12.1458    1.6985   -2.2865 C   0  0  0  0  0
   12.5971    3.1444   -2.4878 C   0  0  0  0  0
   13.9470    3.0880   -3.2001 C   0  0  0  0  0
   14.1599    1.6406   -3.7216 C   0  0  0  0  0
   12.7561    0.9479   -3.5088 C   0  0  0  0  0
   12.8300   -0.5746   -3.3118 C   0  0  0  0  0
   11.8029    1.1969   -4.7149 C   0  0  0  0  0
   15.3223    0.9795   -2.9512 C   0  0  0  0  0
   14.6303    1.6077   -5.1787 C   0  0  0  0  0
   14.5397    0.6620   -5.9433 O   0  0  0  0  0
   15.3004    2.7083   -5.5705 O   0  0  0  0  0
   10.1490   -4.6422    6.5061 H   0  0  0  0  0
   11.0362   -3.1745    6.9846 H   0  0  0  0  0
   11.8810   -4.4661    6.1385 H   0  0  0  0  0
    9.6272   -2.7609    4.9628 H   0  0  0  0  0
   10.5057   -4.0768    4.1113 H   0  0  0  0  0
    9.6537   -2.5267    2.5877 H   0  0  0  0  0
    9.7718   -1.3809    0.4527 H   0  0  0  0  0
   13.5697    0.3430    1.5821 H   0  0  0  0  0
   13.4440   -0.8251    3.7182 H   0  0  0  0  0
   10.8752   -0.0192   -1.0198 H   0  0  0  0  0
   11.0478    1.6808   -2.3269 H   0  0  0  0  0
   12.6609    3.7151   -1.5552 H   0  0  0  0  0
   11.8752    3.6705   -3.1247 H   0  0  0  0  0
   13.9441    3.8401   -3.9966 H   0  0  0  0  0
   14.7419    3.3791   -2.5029 H   0  0  0  0  0
   13.4288   -0.8588   -2.4416 H   0  0  0  0  0
   13.2738   -1.0630   -4.1865 H   0  0  0  0  0
   11.8299   -1.0008   -3.1729 H   0  0  0  0  0
   11.7848    2.2485   -5.0191 H   0  0  0  0  0
   10.7750    0.9069   -4.4661 H   0  0  0  0  0
   12.0862    0.6035   -5.5901 H   0  0  0  0  0
   15.1390    0.9144   -1.8786 H   0  0  0  0  0
   16.2513    1.5476   -3.0870 H   0  0  0  0  0
   15.5242   -0.0332   -3.3190 H   0  0  0  0  0
   15.5988    2.4952   -6.4794 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
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 21  1  0  0  0
 16 20  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 48  1  0  0  0
M  END

>  <Chemical Name>
DEXTRO-CAMPHORIC P-PHENETIDIDE

>  <PubChem CID>
246560

>  <Formula>
C18H25NO4

>  <Molecular Weight>
319.401000

>  <IUPAC Name>
3-[(4-ethoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H25NO4/c1-5-23-13-8-6-12(7-9-13)19-15(20)14-10-11-18(4,16(21)22)17(14,2)3/h6-9,14H,5,10-11H2,1-4H3,(H,19,20)(H,21,22)

>  <InChI Key>
ABMQTMNKACFCFY-UHFFFAOYSA-N

