[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C=CC1=CC=C(C=C1)OCC#N

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)OCC#N

InChI

InChI=1S/C18H22N2O4/c1-14(2)9-11-20-17(21)13-24-18(22)8-5-15-3-6-16(7-4-15)23-12-10-19/h3-8,14H,9,11-13H2,1-2H3,(H,20,21)/b8-5+