[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O6/c22-16-6-4-15(5-7-16)21(27)23-9-1-2-20(26)28-12-19(25)24-11-14-3-8-17-18(10-14)30-13-29-17/h3-8,10H,1-2,9,11-13H2,(H,23,27)(H,24,25)