butyl 2-[ethanoyl-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: butyl 2-[ethanoyl-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 2-[acetyl-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[acetyl-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)amino]-oxomethyl]-1-cyclohexenecarboxylic acid butyl ester IUPAC Name: butyl 2-[acetyl-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[acetyl-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid butyl ester Formula: C25H27FN2O6 MolecularWeight: 470.490083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)C(=O)C

InChI

InChI=1S/C25H27FN2O6/c1-4-6-12-33-25(32)18-10-8-7-9-17(18)24(31)28(16(3)29)20-14-21-22(13-19(20)26)34-15-23(30)27(21)11-5-2/h2,13-14H,4,6-12,15H2,1,3H3