4-[(4,4-dimethyl-7-oxidanyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)carbonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(4,4-dimethyl-7-oxidanyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)carbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 2-fluoro-4-[(7-hydroxy-1-isopropyl-4,4-dimethyl-2,3-dihydroquinoline-6-carbonyl)amino]benzoic acid CAS Name: 2-fluoro-4-[[(7-hydroxy-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-fluoro-4-[(7-hydroxy-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline-6-carbonyl)amino]benzoic acid Traditional Name: 2-fluoro-4-[(7-hydroxy-1-isopropyl-4,4-dimethyl-2,3-dihydroquinoline-6-carbonyl)amino]benzoic acid Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C2=C1C=C(C(=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)F)O)(C)C

Isomeric SMILES

CC(C)N1CCC(C2=C1C=C(C(=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)F)O)(C)C

InChI

InChI=1S/C22H25FN2O4/c1-12(2)25-8-7-22(3,4)16-10-15(19(26)11-18(16)25)20(27)24-13-5-6-14(21(28)29)17(23)9-13/h5-6,9-12,26H,7-8H2,1-4H3,(H,24,27)(H,28,29)