[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6/c1-22-14-9-8-13(16(23-2)17(14)24-3)18(21)25-12-15(20)19-10-6-4-5-7-11-19/h8-9H,4-7,10-12H2,1-3H3