[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,4,5-trimethoxybenzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-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=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C19H27NO6/c1-13(18(21)20-9-7-5-6-8-10-20)26-19(22)14-11-16(24-3)17(25-4)12-15(14)23-2/h11-13H,5-10H2,1-4H3