(4-bromophenyl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid (4-bromobenzyl) ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)Br

InChI

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