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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O6 MolecularWeight: 432.85424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O6/c1-13(20(26)24-16-8-9-17-18(11-16)29-12-28-17)30-19(25)3-2-10-23-21(27)14-4-6-15(22)7-5-14/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,27)(H,24,26)