6-chloranyl-4-[3-(hydroxymethyl)phenyl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[3-(hydroxymethyl)phenyl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-4-[3-(hydroxymethyl)phenyl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-4-[3-(hydroxymethyl)phenyl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-4-[3-(hydroxymethyl)phenyl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 2-(4-carbomethoxybenzyl)-6-chloro-1-keto-4-(3-methylolphenyl)isoquinoline-3-carboxylic acid Formula: C26H20ClNO6 MolecularWeight: 477.8931

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC(=CC=C4)CO)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC(=CC=C4)CO)C(=O)O

InChI

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