[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H27FN2O5 MolecularWeight: 418.458583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O5/c1-12(30-20(27)16-3-4-18(29-2)17(23)8-16)19(26)24-21(28)25-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H2,24,25,26,28)/t12-,13?,14?,15?,22?/m1/s1