2-[2-(4-aminophenyl)-6-methoxy-3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-7-yl]oxyethanoic acid

Systemtic Name: 2-[2-(4-aminophenyl)-6-methoxy-3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-7-yl]oxyethanoic acid Openeye Name: 2-[[2-(4-aminophenyl)-6-methoxy-3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-7-isoquinolyl]oxy]acetic acid CAS Name: 2-[[2-(4-aminophenyl)-6-methoxy-3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-7-isoquinolinyl]oxy]acetic acid IUPAC Name: 2-[2-(4-aminophenyl)-6-methoxy-3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinolin-7-yl]oxyacetic acid Traditional Name: 2-[[2-(4-aminophenyl)-3-carbomethoxy-1-keto-6-methoxy-4-(3,4,5-trimethoxyphenyl)-7-isoquinolyl]oxy]acetic acid Formula: C29H28N2O10 MolecularWeight: 564.54002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O10/c1-36-20-12-18-19(13-21(20)41-14-24(32)33)28(34)31(17-8-6-16(30)7-9-17)26(29(35)40-5)25(18)15-10-22(37-2)27(39-4)23(11-15)38-3/h6-13H,14,30H2,1-5H3,(H,32,33)