[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 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-(cycloheptylamino)-2-keto-ethyl] ester Formula: C20H22ClFN2O4 MolecularWeight: 408.851083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NC3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)NC3CCCCCC3

InChI

InChI=1S/C20H22ClFN2O4/c1-12-17(19(24-28-12)18-14(21)9-6-10-15(18)22)20(26)27-11-16(25)23-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,23,25)