[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H21FN2O4 MolecularWeight: 348.368743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C18H21FN2O4/c1-12(2)18(3,11-20)21-16(23)10-25-17(24)9-8-15(22)13-4-6-14(19)7-5-13/h4-7,12H,8-10H2,1-3H3,(H,21,23)/t18-/m0/s1