[1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H29FN2O4 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)F)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29FN2O4/c1-14(21(28)18-2-4-19(24)5-3-18)30-20(27)6-7-25-22(29)26-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,14-17H,6-13H2,1H3,(H2,25,26,29)