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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H20ClF2NO3 MolecularWeight: 383.816806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClF2NO3/c20-14-5-16(22)15(21)4-13(14)18(25)26-9-17(24)23-19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12H,1-3,6-9H2,(H,23,24)