4-(3,4-dimethoxyphenyl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C23H23NO6 MolecularWeight: 409.43182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)O)CCC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)O)CCC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C23H23NO6/c1-29-19-9-8-16(12-20(19)30-2)21-17(22(25)26)13-24(14-18(21)23(27)28)11-10-15-6-4-3-5-7-15/h3-9,12-14,21H,10-11H2,1-2H3,(H,25,26)(H,27,28)