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

Systemtic Name: 6,7-dimethoxy-4-(4-methoxy-3-propoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 6,7-dimethoxy-4-(4-methoxy-3-propoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid CAS Name: 6,7-dimethoxy-4-(4-methoxy-3-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-4-(4-methoxy-3-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 6,7-dimethoxy-4-(4-methoxy-3-propoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylic acid Formula: C25H26N4O6 MolecularWeight: 478.49714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CN4C=NC=N4)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CN4C=NC=N4)C(=O)O)OC

InChI

InChI=1S/C25H26N4O6/c1-5-8-35-22-9-15(6-7-19(22)32-2)23-16-10-20(33-3)21(34-4)11-17(16)28-18(24(23)25(30)31)12-29-14-26-13-27-29/h6-7,9-11,13-14H,5,8,12H2,1-4H3,(H,30,31)