6-bromanyl-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-4-(4-fluorophenyl)-2-isobutyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-4-(4-fluorophenyl)-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid Formula: C20H17BrFNO3 MolecularWeight: 418.256283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H17BrFNO3/c1-11(2)10-23-18(20(25)26)17(12-3-6-14(22)7-4-12)16-9-13(21)5-8-15(16)19(23)24/h3-9,11H,10H2,1-2H3,(H,25,26)