6,7-dimethoxy-4-(4-methoxy-3-propan-2-yloxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate

Systemtic Name: 6,7-dimethoxy-4-(4-methoxy-3-propan-2-yloxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate Openeye Name: 4-(3-isopropoxy-4-methoxy-phenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate CAS Name: 6,7-dimethoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-quinolinecarboxylate IUPAC Name: 6,7-dimethoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate Traditional Name: 4-(3-isopropoxy-4-methoxy-phenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate Formula: C25H25N4O6- MolecularWeight: 477.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CN4C=NC=N4)C(=O)[O-])OC

Isomeric SMILES

CC(C)OC1=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/c1-14(2)35-22-8-15(6-7-19(22)32-3)23-16-9-20(33-4)21(34-5)10-17(16)28-18(24(23)25(30)31)11-29-13-26-12-27-29/h6-10,12-14H,11H2,1-5H3,(H,30,31)/p-1