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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]pipecolinic 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(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O)C

InChI

InChI=1S/C27H29NO3/c1-19-15-20(2)17-22(16-19)26(28-14-7-6-13-25(28)27(29)30)21-9-8-12-24(18-21)31-23-10-4-3-5-11-23/h3-5,8-12,15-18,25-26H,6-7,13-14H2,1-2H3,(H,29,30)