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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]nipecotic acid Formula: C25H33NO6 MolecularWeight: 443.53262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O)OCC

InChI

InChI=1S/C25H33NO6/c1-5-31-20-13-12-17(15-22(20)32-6-2)23(26-14-8-9-18(16-26)25(27)28)19-10-7-11-21(29-3)24(19)30-4/h7,10-13,15,18,23H,5-6,8-9,14,16H2,1-4H3,(H,27,28)