ethyl (E)-7-[(1R,2S,5S)-2-octyl-5-(1-phenylethylcarbamoyl)cyclopentyl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[(1R,2S,5S)-2-octyl-5-(1-phenylethylcarbamoyl)cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,2S,5S)-2-octyl-5-(1-phenylethylcarbamoyl)cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S,5S)-2-octyl-5-[oxo-(1-phenylethylamino)methyl]cyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,2S,5S)-2-octyl-5-(1-phenylethylcarbamoyl)cyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S,5S)-2-octyl-5-(1-phenylethylcarbamoyl)cyclopentyl]hept-2-enoic acid ethyl ester Formula: C31H49NO3 MolecularWeight: 483.72566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(C1CCCCC=CC(=O)OCC)C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC[C@H]1CC[C@@H]([C@@H]1CCCC/C=C/C(=O)OCC)C(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C31H49NO3/c1-4-6-7-8-9-13-20-27-23-24-29(31(34)32-25(3)26-18-14-12-15-19-26)28(27)21-16-10-11-17-22-30(33)35-5-2/h12,14-15,17-19,22,25,27-29H,4-11,13,16,20-21,23-24H2,1-3H3,(H,32,34)/b22-17+/t25?,27-,28+,29-/m0/s1