(2-adamantylideneamino) 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (2-adamantylideneamino) 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (2-adamantylideneamino) 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid (2-adamantylideneamino) ester IUPAC Name: (2-adamantylideneamino) 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (2-adamantylideneamino) ester Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)ON=C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)ON=C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H20ClFN2O3/c1-10-17(20(25-27-10)18-15(22)3-2-4-16(18)23)21(26)28-24-19-13-6-11-5-12(8-13)9-14(19)7-11/h2-4,11-14H,5-9H2,1H3