2-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxidanylidene-cyclohexyl]ethynyl benzoate

Systemtic Name: 2-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxidanylidene-cyclohexyl]ethynyl benzoate Openeye Name: 2-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxo-cyclohexyl]ethynyl benzoate CAS Name: benzoic acid 2-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxocyclohexyl]ethynyl ester IUPAC Name: 2-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxocyclohexyl]ethynyl benzoate Traditional Name: benzoic acid 2-[4-keto-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexyl]ethynyl ester Formula: C24H22O6 MolecularWeight: 406.42788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(=O)CC3)C#COC(=O)C4=CC=CC=C4)OCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(=O)CC3)C#COC(=O)C4=CC=CC=C4)OCCO2

InChI

InChI=1S/C24H22O6/c1-27-20-8-7-19(21-22(20)29-16-15-28-21)24(11-9-18(25)10-12-24)13-14-30-23(26)17-5-3-2-4-6-17/h2-8H,9-12,15-16H2,1H3