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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3,5-dimethylphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O)C

InChI

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