1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3,6-dicarboxylic acid

Systemtic Name: 1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3,6-dicarboxylic acid Openeye Name: 2-benzyl-1-oxo-4-phenyl-isoquinoline-3,6-dicarboxylic acid CAS Name: 1-oxo-4-phenyl-2-(phenylmethyl)isoquinoline-3,6-dicarboxylic acid IUPAC Name: 2-benzyl-1-oxo-4-phenylisoquinoline-3,6-dicarboxylic acid Traditional Name: 2-benzyl-1-keto-4-phenyl-isoquinoline-3,6-dicarboxylic acid Formula: C24H17NO5 MolecularWeight: 399.39548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17NO5/c26-22-18-12-11-17(23(27)28)13-19(18)20(16-9-5-2-6-10-16)21(24(29)30)25(22)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,27,28)(H,29,30)