(3-methylphenyl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (3-methylphenyl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: m-tolylmethyl 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid (3-methylbenzyl) ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO3/c1-15-3-2-4-16(13-15)14-26-21(25)18-9-11-23(12-10-18)20(24)17-5-7-19(22)8-6-17/h2-8,13,18H,9-12,14H2,1H3