[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC(=O)N2CCCCCC2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC(=O)N2CCCCCC2)OC)OC

InChI

InChI=1S/C20H27NO6/c1-24-16-13-18(26-3)17(25-2)12-15(16)8-9-20(23)27-14-19(22)21-10-6-4-5-7-11-21/h8-9,12-13H,4-7,10-11,14H2,1-3H3/b9-8+