1-[(4-bromophenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(o-tolyl)methyl]nipecotic acid Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O

InChI

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