methyl 2-(4-aminophenyl)-7-(2-azanyl-2-oxidanylidene-ethoxy)-6-methoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-7-(2-azanyl-2-oxidanylidene-ethoxy)-6-methoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 7-(2-amino-2-oxo-ethoxy)-2-(4-aminophenyl)-6-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 7-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-6-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-6-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 7-(2-amino-2-keto-ethoxy)-2-(4-aminophenyl)-1-keto-6-methoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C29H29N3O9 MolecularWeight: 563.55526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC(=O)N)C4=CC=C(C=C4)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC(=O)N)C4=CC=C(C=C4)N)C(=O)OC

InChI

InChI=1S/C29H29N3O9/c1-36-20-12-18-19(13-21(20)41-14-24(31)33)28(34)32(17-8-6-16(30)7-9-17)26(29(35)40-5)25(18)15-10-22(37-2)27(39-4)23(11-15)38-3/h6-13H,14,30H2,1-5H3,(H2,31,33)