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

Systemtic Name: 6-aminocarbonyl-2-[(4-carboxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-carbamoyl-2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-carbamoyl-2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-carbamoyl-2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-carbamoyl-2-(4-carboxybenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H18N2O6 MolecularWeight: 442.42022

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

InChI

InChI=1S/C25H18N2O6/c26-22(28)17-10-11-18-19(12-17)20(15-4-2-1-3-5-15)21(25(32)33)27(23(18)29)13-14-6-8-16(9-7-14)24(30)31/h1-12H,13H2,(H2,26,28)(H,30,31)(H,32,33)