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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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