[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H21FN2O4 MolecularWeight: 336.358043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)CN2CCCCCC2=O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C17H21FN2O4/c1-12(17(23)19-14-8-6-13(18)7-9-14)24-16(22)11-20-10-4-2-3-5-15(20)21/h6-9,12H,2-5,10-11H2,1H3,(H,19,23)/t12-/m1/s1