(2-bromanyl-4-methyl-phenyl) 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)Br

InChI

InChI=1S/C21H22BrNO3/c1-14-7-8-19(18(22)13-14)26-21(25)16-9-11-23(12-10-16)20(24)17-6-4-3-5-15(17)2/h3-8,13,16H,9-12H2,1-2H3