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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H19ClO6 MolecularWeight: 390.81426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClO6/c1-13-9-15(5-6-16(13)21)24-8-2-3-20(23)25-11-17(22)14-4-7-18-19(10-14)27-12-26-18/h4-7,9-10H,2-3,8,11-12H2,1H3