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

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H21F6NO4 MolecularWeight: 465.386159

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H21F6NO4/c22-20(23,24)13-2-14(21(25,26)27)4-15(3-13)28-16(29)9-32-17(30)18-5-11-1-12(6-18)8-19(31,7-11)10-18/h2-4,11-12,31H,1,5-10H2,(H,28,29)