[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]propanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]propanoic acid [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]propionic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C(C)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)COC(=O)C(C)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C18H22ClN3O4/c1-11(2)18(4,10-20)22-15(23)9-26-17(25)12(3)21-16(24)13-7-5-6-8-14(13)19/h5-8,11-12H,9H2,1-4H3,(H,21,24)(H,22,23)