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

Systemtic Name: 2-[(4-carboxyphenyl)methyl]-6-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(4-carboxyphenyl)methyl]-6-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-carboxyphenyl)methyl]-6-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl]-6-methyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(4-carboxybenzyl)-1-keto-6-methyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19NO5/c1-15-7-12-19-20(13-15)21(17-5-3-2-4-6-17)22(25(30)31)26(23(19)27)14-16-8-10-18(11-9-16)24(28)29/h2-13H,14H2,1H3,(H,28,29)(H,30,31)