[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranylbenzoate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranylbenzoate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25FN2O4 MolecularWeight: 388.432603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CC=C4F

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H25FN2O4/c1-12(28-19(26)16-4-2-3-5-17(16)22)18(25)23-20(27)24-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H2,23,24,25,27)/t12-,13?,14?,15?,21?/m1/s1