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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O6/c1-12(19(25)23-15-6-7-16-17(10-15)28-11-27-16)29-18(24)8-9-22-20(26)13-2-4-14(21)5-3-13/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,25)