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

Systemtic Name: 1-[(3-bromophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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