2-(4-aminophenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-aminophenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Openeye Name: 2-(4-aminophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid CAS Name: 2-(4-aminophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-(4-aminophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Traditional Name: 2-(4-aminophenyl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O6/c1-31-19-12-14(13-20(32-2)23(19)33-3)21-17-6-4-5-7-18(17)24(28)27(22(21)25(29)30)16-10-8-15(26)9-11-16/h4-13H,26H2,1-3H3,(H,29,30)