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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C19H25NO5/c1-23-16-9-7-8-15(19(16)24-2)10-11-18(22)25-14-17(21)20-12-5-3-4-6-13-20/h7-11H,3-6,12-14H2,1-2H3/b11-10+