ethyl 4-(4-chlorophenyl)-1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]piperidine-4-carboxylate CAS Name: 4-(4-chlorophenyl)-1-[(E)-4-cyano-4,4-diphenylbut-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-1-[(E)-4-cyano-4,4-diphenylbut-2-enyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]isonipecotic acid ethyl ester Formula: C31H31ClN2O2 MolecularWeight: 499.04304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC=CC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C/C=C/C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H31ClN2O2/c1-2-36-29(35)30(27-14-16-28(32)17-15-27)19-22-34(23-20-30)21-9-18-31(24-33,25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-18H,2,19-23H2,1H3/b18-9+