1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C27H29NO3 MolecularWeight: 415.52406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H29NO3/c1-20-6-5-9-24(18-20)26(28-16-14-23(15-17-28)27(29)30)22-10-12-25(13-11-22)31-19-21-7-3-2-4-8-21/h2-13,18,23,26H,14-17,19H2,1H3,(H,29,30)