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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-o-phenetyl-methyl]nipecotic acid Formula: C23H29NO3 MolecularWeight: 367.48126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H29NO3/c1-4-27-21-10-6-5-9-20(21)22(19-13-16(2)12-17(3)14-19)24-11-7-8-18(15-24)23(25)26/h5-6,9-10,12-14,18,22H,4,7-8,11,15H2,1-3H3,(H,25,26)