[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6/c1-14(20(25)22-10-6-4-5-7-11-22)28-18(23)13-21-19(24)15-8-9-16(26-2)17(12-15)27-3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,21,24)