1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O)C

InChI

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