2-[(4-carboxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3,6-dicarboxylic acid

Systemtic Name: 2-[(4-carboxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3,6-dicarboxylic acid Openeye Name: 2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3,6-dicarboxylic acid CAS Name: 2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3,6-dicarboxylic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3,6-dicarboxylic acid Traditional Name: 2-(4-carboxybenzyl)-1-keto-4-phenyl-isoquinoline-3,6-dicarboxylic acid Formula: C25H17NO7 MolecularWeight: 443.40498

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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)C(=O)O)CC4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H17NO7/c27-22-18-11-10-17(24(30)31)12-19(18)20(15-4-2-1-3-5-15)21(25(32)33)26(22)13-14-6-8-16(9-7-14)23(28)29/h1-12H,13H2,(H,28,29)(H,30,31)(H,32,33)