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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-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(=C1)C=CC(=O)OCC(=O)N2CCCCCC2)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-23-16-11-15(12-17(13-16)24-2)7-8-19(22)25-14-18(21)20-9-5-3-4-6-10-20/h7-8,11-13H,3-6,9-10,14H2,1-2H3/b8-7+