3-azanyl-5-[3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]benzoic acid Openeye Name: 3-amino-5-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]benzoic acid CAS Name: 3-amino-5-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolinyl]benzoic acid IUPAC Name: 3-amino-5-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]benzoic acid Traditional Name: 3-amino-5-[3-carbomethoxy-1-keto-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]benzoic acid Formula: C27H24N2O8 MolecularWeight: 504.48806

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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(=CC(=C4)C(=O)O)N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O8/c1-34-20-11-14(12-21(35-2)24(20)36-3)22-18-7-5-6-8-19(18)25(30)29(23(22)27(33)37-4)17-10-15(26(31)32)9-16(28)13-17/h5-13H,28H2,1-4H3,(H,31,32)