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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-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-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H22O7/c1-13(2)10-25-17-7-5-15(9-19(17)24-3)21(23)26-11-16(22)14-4-6-18-20(8-14)28-12-27-18/h4-9,13H,10-12H2,1-3H3