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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H27F2NO5 MolecularWeight: 423.450286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC(F)F

InChI

InChI=1S/C22H27F2NO5/c1-28-18-7-16(2-3-17(18)30-21(23)24)20(27)29-11-19(26)25-12-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15,21H,4-6,8-12H2,1H3,(H,25,26)