[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H23F2NO3 MolecularWeight: 363.398326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=CC(=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C20H23F2NO3/c21-16-4-15(5-17(22)6-16)19(25)26-10-18(24)23-11-20-7-12-1-13(8-20)3-14(2-12)9-20/h4-6,12-14H,1-3,7-11H2,(H,23,24)