methyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-cyclohexyl]propanoate

Systemtic Name: methyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-cyclohexyl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-cyclohexyl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxocyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxocyclohexyl]propanoate Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-cyclohexyl]propionic acid methyl ester Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(CCCCC1=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCC1(CCCCC1=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20O5/c1-20-16(19)7-9-17(8-3-2-4-15(17)18)12-5-6-13-14(10-12)22-11-21-13/h5-6,10H,2-4,7-9,11H2,1H3