4-(4-fluoranyl-2-methyl-phenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(4-fluoro-2-methylphenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-methyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid Formula: C18H14FNO3 MolecularWeight: 311.307063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C18H14FNO3/c1-10-9-11(19)7-8-12(10)15-13-5-3-4-6-14(13)17(21)20(2)16(15)18(22)23/h3-9H,1-2H3,(H,22,23)