[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H23NO5 MolecularWeight: 321.36822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-21-13-8-7-9-14(22-2)16(13)17(20)23-12-15(19)18-10-5-3-4-6-11-18/h7-9H,3-6,10-12H2,1-2H3