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

Systemtic Name: methyl 4-[cyanomethyl-(4-propan-2-ylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[N-(cyanomethyl)-4-isopropyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(cyanomethyl)-4-propan-2-ylanilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[N-(cyanomethyl)-4-propan-2-ylanilino]-4-oxobutanoate Traditional Name: 4-[N-(cyanomethyl)-4-isopropyl-anilino]-4-keto-butyric acid methyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-12(2)13-4-6-14(7-5-13)18(11-10-17)15(19)8-9-16(20)21-3/h4-7,12H,8-9,11H2,1-3H3