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

Systemtic Name: 1-[(4-bromophenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-phenyl-methyl]nipecotic acid Formula: C19H20BrNO2 MolecularWeight: 374.2716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H20BrNO2/c20-17-10-8-15(9-11-17)18(14-5-2-1-3-6-14)21-12-4-7-16(13-21)19(22)23/h1-3,5-6,8-11,16,18H,4,7,12-13H2,(H,22,23)