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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H25NO6 MolecularWeight: 351.3942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6/c1-22-14-10-13(11-15(23-2)17(14)24-3)18(21)25-12-16(20)19-8-6-4-5-7-9-19/h10-11H,4-9,12H2,1-3H3