[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H21F6NO3 MolecularWeight: 449.386759

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H21F6NO3/c22-20(23,24)14-4-15(21(25,26)27)6-16(5-14)28-17(29)10-31-18(30)19-7-11-1-12(8-19)3-13(2-11)9-19/h4-6,11-13H,1-3,7-10H2,(H,28,29)