methyl 2-(4-aminophenyl)-8-chloranyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-8-chloranyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-8-chloro-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-8-chloro-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-8-chloro-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-8-chloro-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C26H23ClN2O6 MolecularWeight: 494.92362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC=C3Cl)C4=CC=C(C=C4)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC=C3Cl)C4=CC=C(C=C4)N)C(=O)OC

InChI

InChI=1S/C26H23ClN2O6/c1-32-19-12-14(13-20(33-2)24(19)34-3)21-17-6-5-7-18(27)22(17)25(30)29(23(21)26(31)35-4)16-10-8-15(28)9-11-16/h5-13H,28H2,1-4H3