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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(3,5-dimethylphenyl)methyl]pipecolinic 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=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O)C

InChI

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