[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C20H21ClF3NO3 MolecularWeight: 415.83385

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H21ClF3NO3/c21-14-1-2-16(15(8-14)20(22,23)24)25-17(26)9-28-19(27)18-12-4-10-3-11(6-12)7-13(18)5-10/h1-2,8,10-13,18H,3-7,9H2,(H,25,26)