4-[[6-chloranyl-4-[3-(hydroxymethyl)phenyl]-3-methoxycarbonyl-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-chloranyl-4-[3-(hydroxymethyl)phenyl]-3-methoxycarbonyl-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid Openeye Name: 4-[[6-chloro-4-[3-(hydroxymethyl)phenyl]-3-methoxycarbonyl-1-oxo-2-isoquinolyl]methyl]benzoic acid CAS Name: 4-[[6-chloro-4-[3-(hydroxymethyl)phenyl]-3-methoxycarbonyl-1-oxo-2-isoquinolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-chloro-4-[3-(hydroxymethyl)phenyl]-3-methoxycarbonyl-1-oxoisoquinolin-2-yl]methyl]benzoic acid Traditional Name: 4-[[3-carbomethoxy-6-chloro-1-keto-4-(3-methylolphenyl)-2-isoquinolyl]methyl]benzoic acid Formula: C26H20ClNO6 MolecularWeight: 477.8931

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)CO

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)CO

InChI

InChI=1S/C26H20ClNO6/c1-34-26(33)23-22(18-4-2-3-16(11-18)14-29)21-12-19(27)9-10-20(21)24(30)28(23)13-15-5-7-17(8-6-15)25(31)32/h2-12,29H,13-14H2,1H3,(H,31,32)