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

Systemtic Name: methyl 2-(4-aminophenyl)-1-oxidanylidene-8-(pyridin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-1-oxo-8-(3-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-1-oxo-8-(3-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-1-oxo-8-(pyridin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-1-keto-8-(3-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C32H29N3O7 MolecularWeight: 567.58856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC=C3OCC4=CN=CC=C4)C5=CC=C(C=C5)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC=C3OCC4=CN=CC=C4)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C32H29N3O7/c1-38-25-15-20(16-26(39-2)30(25)40-3)27-23-8-5-9-24(42-18-19-7-6-14-34-17-19)28(23)31(36)35(29(27)32(37)41-4)22-12-10-21(33)11-13-22/h5-17H,18,33H2,1-4H3