[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCCCCC2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCCCCC2)OCC#N

InChI

InChI=1S/C20H24N2O5/c1-25-18-14-16(6-8-17(18)26-13-10-21)7-9-20(24)27-15-19(23)22-11-4-2-3-5-12-22/h6-9,14H,2-5,11-13,15H2,1H3