1-[(2,4-dimethylphenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(2-naphthyl)methyl]isonipecotic acid Formula: C25H27NO2 MolecularWeight: 373.48738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)C

InChI

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