ethyl 4-[cyanomethyl-(4-propan-2-ylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[cyanomethyl-(4-propan-2-ylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[N-(cyanomethyl)-4-isopropyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(cyanomethyl)-4-propan-2-ylanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[N-(cyanomethyl)-4-propan-2-ylanilino]-4-oxobutanoate Traditional Name: 4-[N-(cyanomethyl)-4-isopropyl-anilino]-4-keto-butyric acid ethyl ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC#N)C1=CC=C(C=C1)C(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC#N)C1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C17H22N2O3/c1-4-22-17(21)10-9-16(20)19(12-11-18)15-7-5-14(6-8-15)13(2)3/h5-8,13H,4,9-10,12H2,1-3H3