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

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic 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] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O4/c1-13(2)11-18(25-20(28)16-7-9-17(23)10-8-16)21(29)30-15(5)19(27)26-22(6,12-24)14(3)4/h7-10,13-15,18H,11H2,1-6H3,(H,25,28)(H,26,27)