methyl 1-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 1-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 1-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCC1=CC2=C(C=C1)OCO2)CCC3(CCCCC3=O)C(=O)OC

Isomeric SMILES

CC/C(=C\CCC1=CC2=C(C=C1)OCO2)/CCC3(CCCCC3=O)C(=O)OC

InChI

InChI=1S/C23H30O5/c1-3-17(7-6-8-18-10-11-19-20(15-18)28-16-27-19)12-14-23(22(25)26-2)13-5-4-9-21(23)24/h7,10-11,15H,3-6,8-9,12-14,16H2,1-2H3/b17-7+