1-[(4-bromophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H22BrNO2/c1-14-3-2-4-17(13-14)19(15-5-7-18(21)8-6-15)22-11-9-16(10-12-22)20(23)24/h2-8,13,16,19H,9-12H2,1H3,(H,23,24)