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

Systemtic Name: ethyl 4-[3,4-bis(fluoranyl)phenyl]-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3,4-difluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H23F2NO3 MolecularWeight: 375.409026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)F)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)F)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C21H23F2NO3/c1-5-27-20(26)17-11(2)24-15-9-21(3,4)10-16(25)19(15)18(17)12-6-7-13(22)14(23)8-12/h6-8,18,24H,5,9-10H2,1-4H3