methyl 4-[(4-tert-butylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-tert-butylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-tert-butyl-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-tert-butyl-N-(cyanomethyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-tert-butyl-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-tert-butyl-N-(cyanomethyl)anilino]-4-keto-butyric acid methyl ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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