[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O7 MolecularWeight: 408.44552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7/c1-26-15-10-14(11-16(27-2)19(15)28-3)20(25)21-12-18(24)29-13-17(23)22-8-6-4-5-7-9-22/h10-11H,4-9,12-13H2,1-3H3,(H,21,25)