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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C24H31NO7 MolecularWeight: 445.50544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C24H31NO7/c1-28-18-7-6-16(12-20(18)30-3)23(25-10-8-15(9-11-25)24(26)27)17-13-21(31-4)22(32-5)14-19(17)29-2/h6-7,12-15,23H,8-11H2,1-5H3,(H,26,27)