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

Systemtic Name: 1-[(4-bromophenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(m-tolyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O

InChI

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