2-(4-aminophenyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-aminophenyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Openeye Name: 2-(4-aminophenyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid CAS Name: 2-(4-aminophenyl)-1-oxo-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Traditional Name: 2-(4-aminophenyl)-1-keto-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Formula: C31H27N3O7 MolecularWeight: 553.56198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)O

InChI

InChI=1S/C31H27N3O7/c1-38-25-14-18(15-26(39-2)29(25)40-3)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(35)34(28(27)31(36)37)21-9-7-19(32)8-10-21/h4-16H,17,32H2,1-3H3,(H,36,37)