[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H25NO6 MolecularWeight: 375.4156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H25NO6/c1-24-16-12-15(13-17-20(16)26-11-10-25-17)6-7-19(23)27-14-18(22)21-8-4-2-3-5-9-21/h6-7,12-13H,2-5,8-11,14H2,1H3/b7-6+