[2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[4-(difluoromethoxy)phenyl]-2-keto-ethyl] ester Formula: C20H21BrF2O4 MolecularWeight: 443.279146

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C20H21BrF2O4/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)17(25)26-10-16(24)14-1-3-15(4-2-14)27-18(22)23/h1-4,12-13,18H,5-11H2