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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=CC4=CC=CC=C43

InChI

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