4-[[7-[2-(3-methoxyphenyl)ethanoyloxy]-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[7-[2-(3-methoxyphenyl)ethanoyloxy]-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid Openeye Name: 4-[[7-[2-(3-methoxyphenyl)acetyl]oxy-1-oxo-2-isoquinolyl]methyl]benzoic acid CAS Name: 4-[[7-[2-(3-methoxyphenyl)-1-oxoethoxy]-1-oxo-2-isoquinolinyl]methyl]benzoic acid IUPAC Name: 4-[[7-[2-(3-methoxyphenyl)acetyl]oxy-1-oxoisoquinolin-2-yl]methyl]benzoic acid Traditional Name: 4-[[1-keto-7-[2-(3-methoxyphenyl)acetyl]oxy-2-isoquinolyl]methyl]benzoic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)OC2=CC3=C(C=C2)C=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)OC2=CC3=C(C=C2)C=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H21NO6/c1-32-21-4-2-3-18(13-21)14-24(28)33-22-10-9-19-11-12-27(25(29)23(19)15-22)16-17-5-7-20(8-6-17)26(30)31/h2-13,15H,14,16H2,1H3,(H,30,31)