[2-(4-cyano-4-phenyl-piperidin-1-yl)carbonylphenyl]methyl benzoate

Systemtic Name: [2-(4-cyano-4-phenyl-piperidin-1-yl)carbonylphenyl]methyl benzoate Openeye Name: [2-(4-cyano-4-phenyl-piperidine-1-carbonyl)phenyl]methyl benzoate CAS Name: benzoic acid [2-[(4-cyano-4-phenyl-1-piperidinyl)-oxomethyl]phenyl]methyl ester IUPAC Name: [2-(4-cyano-4-phenylpiperidine-1-carbonyl)phenyl]methyl benzoate Traditional Name: benzoic acid [2-(4-cyano-4-phenyl-piperidine-1-carbonyl)benzyl] ester Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3/c28-20-27(23-12-5-2-6-13-23)15-17-29(18-16-27)25(30)24-14-8-7-11-22(24)19-32-26(31)21-9-3-1-4-10-21/h1-14H,15-19H2