(8-fluoranylquinolin-2-yl)methyl N-[6-[3-(2-azanylethyl)oxiran-2-yl]-2-methyl-4-oxidanylidene-hexyl]carbamate

Systemtic Name: (8-fluoranylquinolin-2-yl)methyl N-[6-[3-(2-azanylethyl)oxiran-2-yl]-2-methyl-4-oxidanylidene-hexyl]carbamate Openeye Name: (8-fluoro-2-quinolyl)methyl N-[6-[3-(2-aminoethyl)oxiran-2-yl]-2-methyl-4-oxo-hexyl]carbamate CAS Name: N-[6-[3-(2-aminoethyl)-2-oxiranyl]-2-methyl-4-oxohexyl]carbamic acid (8-fluoro-2-quinolinyl)methyl ester IUPAC Name: (8-fluoroquinolin-2-yl)methyl N-[6-[3-(2-aminoethyl)oxiran-2-yl]-2-methyl-4-oxohexyl]carbamate Traditional Name: N-[6-[3-(2-aminoethyl)oxiran-2-yl]-4-keto-2-methyl-hexyl]carbamic acid (8-fluoro-2-quinolyl)methyl ester Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CCC1C(O1)CCN)CNC(=O)OCC2=NC3=C(C=CC=C3F)C=C2

Isomeric SMILES

CC(CC(=O)CCC1C(O1)CCN)CNC(=O)OCC2=NC3=C(C=CC=C3F)C=C2

InChI

InChI=1S/C22H28FN3O4/c1-14(11-17(27)7-8-19-20(30-19)9-10-24)12-25-22(28)29-13-16-6-5-15-3-2-4-18(23)21(15)26-16/h2-6,14,19-20H,7-13,24H2,1H3,(H,25,28)