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

Systemtic Name: 2-(4-acetamidophenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Openeye Name: 2-(4-acetamidophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid CAS Name: 2-(4-acetamidophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-(4-acetamidophenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Traditional Name: 2-(4-acetamidophenyl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Formula: C27H24N2O7 MolecularWeight: 488.48866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O

InChI

InChI=1S/C27H24N2O7/c1-15(30)28-17-9-11-18(12-10-17)29-24(27(32)33)23(19-7-5-6-8-20(19)26(29)31)16-13-21(34-2)25(36-4)22(14-16)35-3/h5-14H,1-4H3,(H,28,30)(H,32,33)