methyl 4-(1,3-benzodioxol-5-yl)butanoate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)butanoate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)butanoate CAS Name: 4-(1,3-benzodioxol-5-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)butanoate Traditional Name: 4-(1,3-benzodioxol-5-yl)butyric acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CCCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14O4/c1-14-12(13)4-2-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,2-4,8H2,1H3