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

Systemtic Name: 1-[(3-bromophenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2-naphthyl)methyl]isonipecotic acid Formula: C23H22BrNO2 MolecularWeight: 424.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC4=CC=CC=C4C=C3

InChI

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