1-[(3,5-dimethylphenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(1-naphthyl)methyl]nipecotic acid Formula: C25H27NO2 MolecularWeight: 373.48738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)C

InChI

InChI=1S/C25H27NO2/c1-17-13-18(2)15-21(14-17)24(26-12-6-9-20(16-26)25(27)28)23-11-5-8-19-7-3-4-10-22(19)23/h3-5,7-8,10-11,13-15,20,24H,6,9,12,16H2,1-2H3,(H,27,28)