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

Systemtic Name: propyl 4-[(4-butylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[4-butyl-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-butyl-N-(cyanomethyl)anilino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[4-butyl-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-butyl-N-(cyanomethyl)anilino]-4-keto-butyric acid propyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-3-5-6-16-7-9-17(10-8-16)21(14-13-20)18(22)11-12-19(23)24-15-4-2/h7-10H,3-6,11-12,14-15H2,1-2H3