[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O8 MolecularWeight: 430.40798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O8/c1-12(20(25)23-14-5-7-16-18(9-14)30-11-29-16)31-19(24)10-22-21(26)13-4-6-15(27-2)17(8-13)28-3/h4-9,12H,10-11H2,1-3H3,(H,22,26)(H,23,25)