1-[(2,5-dimethylphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(2-naphthyl)methyl]nipecotic acid Formula: C25H27NO2 MolecularWeight: 373.48738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

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