methyl 3-[[2-(trifluoromethyl)phenyl]carbamoylamino]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[2-(trifluoromethyl)phenyl]carbamoylamino]adamantane-1-carboxylate Openeye Name: methyl 3-[[2-(trifluoromethyl)phenyl]carbamoylamino]adamantane-1-carboxylate CAS Name: 3-[[oxo-[2-(trifluoromethyl)anilino]methyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(trifluoromethyl)phenyl]carbamoylamino]adamantane-1-carboxylate Traditional Name: 3-[[2-(trifluoromethyl)phenyl]carbamoylamino]adamantane-1-carboxylic acid methyl ester Formula: C20H23F3N2O3 MolecularWeight: 396.40343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H23F3N2O3/c1-28-16(26)18-7-12-6-13(8-18)10-19(9-12,11-18)25-17(27)24-15-5-3-2-4-14(15)20(21,22)23/h2-5,12-13H,6-11H2,1H3,(H2,24,25,27)