6-(hydroxymethyl)-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-6-(hydroxymethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-(hydroxymethyl)-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-6-(hydroxymethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-1-keto-6-methylol-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H19NO4 MolecularWeight: 385.41196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO4/c26-15-17-11-12-19-20(13-17)21(18-9-5-2-6-10-18)22(24(28)29)25(23(19)27)14-16-7-3-1-4-8-16/h1-13,26H,14-15H2,(H,28,29)