[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-fluoranylphenoxy)ethanoate

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-fluoranylphenoxy)ethanoate Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(4-fluorophenoxy)acetate CAS Name: 2-(4-fluorophenoxy)acetic acid [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate Traditional Name: 2-(4-fluorophenoxy)acetic acid [(1S)-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)COC4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=C(C=C4)F

InChI

InChI=1S/C22H27FN2O5/c1-13(30-19(26)12-29-18-4-2-17(23)3-5-18)20(27)24-21(28)25-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H2,24,25,27,28)/t13-,14?,15?,16?,22?/m0/s1