[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C26H25ClF3NO3 MolecularWeight: 491.92981

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C26H25ClF3NO3/c27-19-6-7-21(20(9-19)26(28,29)30)31-22(32)14-34-23(33)25-12-16-8-17(13-25)11-24(10-16,15-25)18-4-2-1-3-5-18/h1-7,9,16-17H,8,10-15H2,(H,31,32)