1-[(2,3-dimethoxyphenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(2-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-o-phenetyl-methyl]isonipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-4-29-19-10-6-5-8-17(19)21(24-14-12-16(13-15-24)23(25)26)18-9-7-11-20(27-2)22(18)28-3/h5-11,16,21H,4,12-15H2,1-3H3,(H,25,26)