tert-butyl 8-(1-adamantylcarbamoylamino)-2-fluoranyl-octanoate

Systemtic Name: tert-butyl 8-(1-adamantylcarbamoylamino)-2-fluoranyl-octanoate Openeye Name: tert-butyl 8-(1-adamantylcarbamoylamino)-2-fluoro-octanoate CAS Name: 8-[[(1-adamantylamino)-oxomethyl]amino]-2-fluorooctanoic acid tert-butyl ester IUPAC Name: tert-butyl 8-(1-adamantylcarbamoylamino)-2-fluorooctanoate Traditional Name: 8-(1-adamantylcarbamoylamino)-2-fluoro-caprylic acid tert-butyl ester Formula: C23H39FN2O3 MolecularWeight: 410.565763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2)F

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2)F

InChI

InChI=1S/C23H39FN2O3/c1-22(2,3)29-20(27)19(24)8-6-4-5-7-9-25-21(28)26-23-13-16-10-17(14-23)12-18(11-16)15-23/h16-19H,4-15H2,1-3H3,(H2,25,26,28)