(2-cyanophenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (2-cyanobenzyl) ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2C#N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O3/c22-19-7-5-15(6-8-19)20(25)24-11-9-16(10-12-24)21(26)27-14-18-4-2-1-3-17(18)13-23/h1-8,16H,9-12,14H2