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

Systemtic Name: 2-[(4-carboxyphenyl)methyl]-1-oxidanylidene-4-phenyl-6-[(phenylmethyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 6-(benzylamino)-2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenyl-6-[(phenylmethyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 6-(benzylamino)-2-[(4-carboxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-(benzylamino)-2-(4-carboxybenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C31H24N2O5 MolecularWeight: 504.53266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H24N2O5/c34-29-25-16-15-24(32-18-20-7-3-1-4-8-20)17-26(25)27(22-9-5-2-6-10-22)28(31(37)38)33(29)19-21-11-13-23(14-12-21)30(35)36/h1-17,32H,18-19H2,(H,35,36)(H,37,38)