[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H24F2O5 MolecularWeight: 394.409066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC(F)F

InChI

InChI=1S/C21H24F2O5/c1-26-17-7-15(2-3-16(17)28-20(22)23)19(25)27-11-18(24)21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,12-14,20H,4-6,8-11H2,1H3