[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23FN2O4 MolecularWeight: 374.406023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4/c21-16-3-1-2-15(7-16)18(25)27-11-17(24)22-19(26)23-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,12-14H,4-6,8-11H2,(H2,22,23,24,26)