1-[(2-bromophenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(1-naphthyl)methyl]nipecotic acid Formula: C23H22BrNO2 MolecularWeight: 424.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H22BrNO2/c24-21-13-4-3-11-20(21)22(25-14-6-9-17(15-25)23(26)27)19-12-5-8-16-7-1-2-10-18(16)19/h1-5,7-8,10-13,17,22H,6,9,14-15H2,(H,26,27)