methyl 3-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: methyl 1-benzyl-3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: 3-[(4-chlorophenyl)methyl]-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-benzyl-3-(4-chlorobenzyl)nipecotic acid methyl ester Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCN(C1)CC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1(CCCN(C1)CC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO2/c1-25-20(24)21(14-17-8-10-19(22)11-9-17)12-5-13-23(16-21)15-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3