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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethoxy)butanoate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethoxy)butanoate CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethoxy)butanoate Traditional Name: 4-piperonyloxybutyric acid methyl ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CCCOCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16O5/c1-15-13(14)3-2-6-16-8-10-4-5-11-12(7-10)18-9-17-11/h4-5,7H,2-3,6,8-9H2,1H3