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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO6/c1-23-15-10-14(11-16(24-2)19(15)25-3)12-18(22)26-13-17(21)20-8-6-4-5-7-9-20/h10-11H,4-9,12-13H2,1-3H3