[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3,5-bis(fluoranyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC(=C4)F)F

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C20H23F2NO3/c1-11(26-19(25)15-5-16(21)7-17(22)6-15)18(24)23-20-8-12-2-13(9-20)4-14(3-12)10-20/h5-7,11-14H,2-4,8-10H2,1H3,(H,23,24)/t11-,12?,13?,14?,20?/m1/s1