methyl 6,7-dimethoxy-1-oxidanylidene-2-(pyridin-2-ylamino)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6,7-dimethoxy-1-oxidanylidene-2-(pyridin-2-ylamino)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-1-oxo-2-(2-pyridylamino)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 6,7-dimethoxy-1-oxo-2-(2-pyridinylamino)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-1-oxo-2-(pyridin-2-ylamino)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-6,7-dimethoxy-2-(2-pyridylamino)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H27N3O8 MolecularWeight: 521.51858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)NC4=CC=CC=N4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)NC4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C27H27N3O8/c1-33-18-13-16-17(14-19(18)34-2)26(31)30(29-22-9-7-8-10-28-22)24(27(32)38-6)23(16)15-11-20(35-3)25(37-5)21(12-15)36-4/h7-14H,1-6H3,(H,28,29)