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

Systemtic Name: 6-bromanyl-2-[[4-(hydroxymethyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(4-methylolbenzyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H18BrNO4 MolecularWeight: 464.30802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)CO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)CO)C(=O)O

InChI

InChI=1S/C24H18BrNO4/c25-18-10-11-19-20(12-18)21(17-4-2-1-3-5-17)22(24(29)30)26(23(19)28)13-15-6-8-16(14-27)9-7-15/h1-12,27H,13-14H2,(H,29,30)