1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO3/c1-20-15-21(2)17-25(16-20)27(29-13-11-23(12-14-29)28(30)31)24-9-6-10-26(18-24)32-19-22-7-4-3-5-8-22/h3-10,15-18,23,27H,11-14,19H2,1-2H3,(H,30,31)