[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H22F2N2O4 MolecularWeight: 392.396486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2N2O4/c21-15-4-14(5-16(22)6-15)18(26)28-10-17(25)23-19(27)24-20-7-11-1-12(8-20)3-13(2-11)9-20/h4-6,11-13H,1-3,7-10H2,(H2,23,24,25,27)