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

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H21FN2O3 MolecularWeight: 320.358643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CCC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCC1=CC=C(C=C1)F

InChI

InChI=1S/C17H21FN2O3/c1-12(2)17(3,11-19)20-15(21)10-23-16(22)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,20,21)/t17-/m1/s1