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

Systemtic Name: 1-[(4-bromophenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

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

InChI

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