[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methoxy]benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(difluoromethoxy)benzoate CAS Name: 4-(difluoromethoxy)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate Traditional Name: 4-(difluoromethoxy)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H25F2NO4 MolecularWeight: 393.424306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C21H25F2NO4/c22-20(23)28-17-3-1-16(2-4-17)19(26)27-11-18(25)24-12-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15,20H,5-12H2,(H,24,25)