[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic 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] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C20H25FN2O3 MolecularWeight: 360.422503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1(CCCC1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1(CCCC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H25FN2O3/c1-14(2)19(3,13-22)23-17(24)12-26-18(25)20(10-4-5-11-20)15-6-8-16(21)9-7-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,23,24)/t19-/m0/s1