[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H22ClF2NO3 MolecularWeight: 397.843386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=C(C=C4Cl)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=C(C=C4Cl)F)F

InChI

InChI=1S/C20H22ClF2NO3/c21-15-5-17(23)16(22)4-14(15)19(26)27-9-18(25)24-10-20-6-11-1-12(7-20)3-13(2-11)8-20/h4-5,11-13H,1-3,6-10H2,(H,24,25)