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

Systemtic Name: methyl 4-[(4-butylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-butyl-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-butyl-N-(cyanomethyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-butyl-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-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:

CCCCC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OC

InChI

InChI=1S/C17H22N2O3/c1-3-4-5-14-6-8-15(9-7-14)19(13-12-18)16(20)10-11-17(21)22-2/h6-9H,3-5,10-11,13H2,1-2H3