[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClFN2O4 MolecularWeight: 422.877663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClFN2O4/c1-11(29-19(27)16-3-2-15(22)7-17(16)23)18(26)24-20(28)25-21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,11-14H,4-6,8-10H2,1H3,(H2,24,25,26,28)/t11-,12?,13?,14?,21?/m0/s1