tert-butyl 2-[(1-cyano-2-oxidanylidene-2-phenyl-ethyl)-[4-(diethylamino)-2-methyl-phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl 2-[(1-cyano-2-oxidanylidene-2-phenyl-ethyl)-[4-(diethylamino)-2-methyl-phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[N-(1-cyano-2-oxo-2-phenyl-ethyl)-4-(diethylamino)-2-methyl-anilino]-2-oxo-acetate CAS Name: 2-[N-(1-cyano-2-oxo-2-phenylethyl)-4-(diethylamino)-2-methylanilino]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[N-(1-cyano-2-oxo-2-phenylethyl)-4-(diethylamino)-2-methylanilino]-2-oxoacetate Traditional Name: 2-[N-(1-cyano-2-keto-2-phenyl-ethyl)-4-(diethylamino)-2-methyl-anilino]-2-keto-acetic acid tert-butyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N(C(C#N)C(=O)C2=CC=CC=C2)C(=O)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N(C(C#N)C(=O)C2=CC=CC=C2)C(=O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C26H31N3O4/c1-7-28(8-2)20-14-15-21(18(3)16-20)29(24(31)25(32)33-26(4,5)6)22(17-27)23(30)19-12-10-9-11-13-19/h9-16,22H,7-8H2,1-6H3