[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)OCC(C)C

InChI

InChI=1S/C22H24O7/c1-4-25-20-10-16(6-8-18(20)26-11-14(2)3)22(24)27-12-17(23)15-5-7-19-21(9-15)29-13-28-19/h5-10,14H,4,11-13H2,1-3H3