1-[(2,5-dimethylphenyl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-phenyl-methyl]isonipecotic acid Formula: C21H25NO2 MolecularWeight: 323.4287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25NO2/c1-15-8-9-16(2)19(14-15)20(17-6-4-3-5-7-17)22-12-10-18(11-13-22)21(23)24/h3-9,14,18,20H,10-13H2,1-2H3,(H,23,24)