[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)C

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)C

InChI

InChI=1S/C20H26ClN3O4/c1-12(2)20(5,11-22)24-19(27)13(3)28-18(26)10-17(23-14(4)25)15-6-8-16(21)9-7-15/h6-9,12-13,17H,10H2,1-5H3,(H,23,25)(H,24,27)