[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C21H29N3O4/c1-14(2)18(20(27)28-13-17(25)23-12-6-11-22)24-19(26)15-7-9-16(10-8-15)21(3,4)5/h7-10,14,18H,6,12-13H2,1-5H3,(H,23,25)(H,24,26)