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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]pipecolinic acid Formula: C24H31NO6 MolecularWeight: 429.50604

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)N3CCCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C24H31NO6/c1-5-31-21-11-9-16(14-22(21)30-4)23(25-13-7-6-8-19(25)24(26)27)18-15-17(28-2)10-12-20(18)29-3/h9-12,14-15,19,23H,5-8,13H2,1-4H3,(H,26,27)