2-[ethanoyl-(7-fluoranyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[ethanoyl-(7-fluoranyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[acetyl-(7-fluoro-4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[acetyl-(7-fluoro-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)amino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[acetyl-(7-fluoro-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[acetyl-(7-fluoro-4-isopropyl-3-keto-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)COC2=CC(=C(C=C21)N(C(=O)C)C(=O)C3=C(CCCC3)C(=O)O)F

Isomeric SMILES

CC(C)N1C(=O)COC2=CC(=C(C=C21)N(C(=O)C)C(=O)C3=C(CCCC3)C(=O)O)F

InChI

InChI=1S/C21H23FN2O6/c1-11(2)23-17-9-16(15(22)8-18(17)30-10-19(23)26)24(12(3)25)20(27)13-6-4-5-7-14(13)21(28)29/h8-9,11H,4-7,10H2,1-3H3,(H,28,29)