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

Systemtic Name: methyl 2-(4-aminophenyl)-7-methoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate chloride Openeye Name: methyl 2-(4-aminophenyl)-7-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate chloride CAS Name: 2-(4-aminophenyl)-7-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester chloride IUPAC Name: methyl 2-(4-aminophenyl)-7-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate chloride Traditional Name: 2-(4-aminophenyl)-1-keto-7-methoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester chloride Formula: C27H26ClN2O7- MolecularWeight: 525.95754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N(C2=O)C3=CC=C(C=C3)N)C(=O)OC)C4=CC(=C(C(=C4)OC)OC)OC.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N(C2=O)C3=CC=C(C=C3)N)C(=O)OC)C4=CC(=C(C(=C4)OC)OC)OC.[Cl-]

InChI

InChI=1S/C27H26N2O7.ClH/c1-32-18-10-11-19-20(14-18)26(30)29(17-8-6-16(28)7-9-17)24(27(31)36-5)23(19)15-12-21(33-2)25(35-4)22(13-15)34-3;/h6-14H,28H2,1-5H3;1H/p-1