[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-(4-fluorophenyl)ethylamino]benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-(4-fluorophenyl)ethylamino]benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[2-(4-fluorophenyl)ethylamino]benzoate CAS Name: 2-[2-(4-fluorophenyl)ethylamino]benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluorophenyl)ethylamino]benzoate Traditional Name: 2-[2-(4-fluorophenyl)ethylamino]benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C28H32FN3O4 MolecularWeight: 493.569783

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=CC=C4NCCC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=CC=C4NCCC5=CC=C(C=C5)F

InChI

InChI=1S/C28H32FN3O4/c29-22-7-5-18(6-8-22)9-10-30-24-4-2-1-3-23(24)26(34)36-17-25(33)31-27(35)32-28-14-19-11-20(15-28)13-21(12-19)16-28/h1-8,19-21,30H,9-17H2,(H2,31,32,33,35)