[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C24H31FN2O4 MolecularWeight: 430.512343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31FN2O4/c1-14(19-3-5-20(25)6-4-19)27-22(29)15(2)31-21(28)13-26-23(30)24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,14-18H,7-13H2,1-2H3,(H,26,30)(H,27,29)