[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6/c1-22-14-10-13(11-15-17(14)24-9-8-23-15)18(21)25-12-16(20)19-6-4-2-3-5-7-19/h10-11H,2-9,12H2,1H3