1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]-4-phenyl-piperidine-4-carboxylic acid hydrochloride

Systemtic Name: 1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]-4-phenyl-piperidine-4-carboxylic acid hydrochloride Openeye Name: 1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]-4-phenyl-piperidine-4-carboxylic acid hydrochloride CAS Name: 1-[(E)-4-cyano-4,4-diphenylbut-2-enyl]-4-phenyl-4-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-[(E)-4-cyano-4,4-diphenylbut-2-enyl]-4-phenylpiperidine-4-carboxylic acid hydrochloride Traditional Name: 1-[(E)-4-cyano-4,4-diphenyl-but-2-enyl]-4-phenyl-isonipecotic acid hydrochloride Formula: C29H29ClN2O2 MolecularWeight: 473.00576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CC=CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C/C=C/C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C29H28N2O2.ClH/c30-23-29(25-13-6-2-7-14-25,26-15-8-3-9-16-26)17-10-20-31-21-18-28(19-22-31,27(32)33)24-11-4-1-5-12-24;/h1-17H,18-22H2,(H,32,33);1H/b17-10+;