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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC(F)F

InChI

InChI=1S/C22H27F2NO5/c1-2-28-18-8-16(3-4-17(18)30-21(23)24)20(27)29-12-19(26)25-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15,21H,2,5-7,9-12H2,1H3,(H,25,26)