1-[(2,6-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H29NO6 MolecularWeight: 415.47946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29NO6/c1-27-17-9-8-16(14-20(17)30-4)22(24-12-10-15(11-13-24)23(25)26)21-18(28-2)6-5-7-19(21)29-3/h5-9,14-15,22H,10-13H2,1-4H3,(H,25,26)