ethyl 4-(2-chloranyl-6-fluoranyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-6-fluoranyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(2-chloro-6-fluoro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-chloro-6-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-6-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-chloro-6-fluoro-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H23ClFNO3 MolecularWeight: 391.863623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC=C3Cl)F)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC=C3Cl)F)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C21H23ClFNO3/c1-5-27-20(26)16-11(2)24-14-9-21(3,4)10-15(25)18(14)19(16)17-12(22)7-6-8-13(17)23/h6-8,19,24H,5,9-10H2,1-4H3