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

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic 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] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-14(2)22(3,13-24)25-19(26)12-29-21(28)18-7-5-4-6-17(18)20(27)15-8-10-16(23)11-9-15/h4-11,14H,12H2,1-3H3,(H,25,26)/t22-/m0/s1