[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(4-fluorophenoxy)propanoate CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate Traditional Name: (2S)-2-(4-fluorophenoxy)propionic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H27FN2O5 MolecularWeight: 418.458583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)F

InChI

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