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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-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-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-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-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H20ClFN2O4 MolecularWeight: 394.824503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H20ClFN2O4/c1-12-16(18(22-27-12)17-13(20)7-6-8-14(17)21)19(25)26-11-15(24)23-9-4-2-3-5-10-23/h6-8H,2-5,9-11H2,1H3