[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H19FN2O4 MolecularWeight: 346.352863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O4/c1-18(11-20,13-4-5-13)21-16(23)10-25-17(24)9-8-15(22)12-2-6-14(19)7-3-12/h2-3,6-7,13H,4-5,8-10H2,1H3,(H,21,23)/t18-/m0/s1