1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2,5-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/c1-5-31-22-11-9-17(14-23(22)32-6-2)24(26-13-7-8-18(16-26)25(27)28)20-15-19(29-3)10-12-21(20)30-4/h9-12,14-15,18,24H,5-8,13,16H2,1-4H3,(H,27,28)