4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CN4C=NC=N4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CN4C=NC=N4)C(=O)O)OC

InChI

InChI=1S/C23H22N4O6/c1-30-17-6-5-13(7-18(17)31-2)21-14-8-19(32-3)20(33-4)9-15(14)26-16(22(21)23(28)29)10-27-12-24-11-25-27/h5-9,11-12H,10H2,1-4H3,(H,28,29)