[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C21H22ClNO6/c1-14-9-16(5-6-17(14)22)26-8-2-3-21(25)27-12-20(24)23-11-15-4-7-18-19(10-15)29-13-28-18/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,23,24)