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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-isopropylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-p-cumenyl-methyl]pipecolinic acid Formula: C24H31NO2 MolecularWeight: 365.50844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)C(C)C)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)C(C)C)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C24H31NO2/c1-16(2)19-8-10-20(11-9-19)23(21-14-17(3)13-18(4)15-21)25-12-6-5-7-22(25)24(26)27/h8-11,13-16,22-23H,5-7,12H2,1-4H3,(H,26,27)