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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,3,4-trimethoxybenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C19H27NO6/c1-13(18(21)20-11-7-5-6-8-12-20)26-19(22)14-9-10-15(23-2)17(25-4)16(14)24-3/h9-10,13H,5-8,11-12H2,1-4H3