hexyl (E)-7-[methyl(phenyl)amino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: hexyl (E)-7-[methyl(phenyl)amino]-7-oxidanylidene-hept-2-enoate Openeye Name: hexyl (E)-7-(N-methylanilino)-7-oxo-hept-2-enoate CAS Name: (E)-7-(N-methylanilino)-7-oxo-2-heptenoic acid hexyl ester IUPAC Name: hexyl (E)-7-(N-methylanilino)-7-oxohept-2-enoate Traditional Name: (E)-7-keto-7-(N-methylanilino)hept-2-enoic acid hexyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C=CCCCC(=O)N(C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCOC(=O)/C=C/CCCC(=O)N(C)C1=CC=CC=C1

InChI

InChI=1S/C20H29NO3/c1-3-4-5-12-17-24-20(23)16-11-7-10-15-19(22)21(2)18-13-8-6-9-14-18/h6,8-9,11,13-14,16H,3-5,7,10,12,15,17H2,1-2H3/b16-11+