[2-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[2-(difluoromethoxy)anilino]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-[2-(difluoromethoxy)anilino]-2-keto-ethyl] ester Formula: C20H22ClF2NO4 MolecularWeight: 413.842786

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC=CC=C4OC(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC=CC=C4OC(F)F

InChI

InChI=1S/C20H22ClF2NO4/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)17(26)27-10-16(25)24-14-3-1-2-4-15(14)28-18(22)23/h1-4,12-13,18H,5-11H2,(H,24,25)