[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,4-ditert-butylphenoxy)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,4-ditert-butylphenoxy)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2,4-ditert-butylphenoxy)acetate CAS Name: 2-(2,4-ditert-butylphenoxy)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,4-ditert-butylphenoxy)acetate Traditional Name: 2-(2,4-ditert-butylphenoxy)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-20(2,3)15-8-9-17(16(12-15)21(4,5)6)26-14-19(25)27-13-18(24)23-11-7-10-22/h8-9,12H,7,11,13-14H2,1-6H3,(H,23,24)