[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(2,6-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-difluoroanilino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(2,6-difluoroanilino)-2-keto-ethyl] ester Formula: C19H20BrF2NO3 MolecularWeight: 428.267806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(C=CC=C4F)F

InChI

InChI=1S/C19H20BrF2NO3/c20-19-7-11-4-12(8-19)6-18(5-11,10-19)17(25)26-9-15(24)23-16-13(21)2-1-3-14(16)22/h1-3,11-12H,4-10H2,(H,23,24)