[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic 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-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-14(2)22(7,13-23)25-19(27)15(3)29-18(26)12-24-20(28)16-8-10-17(11-9-16)21(4,5)6/h8-11,14-15H,12H2,1-7H3,(H,24,28)(H,25,27)