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

Systemtic Name: methyl 4-(2-fluoranyl-5-iodanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(2-fluoro-5-iodo-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-fluoro-5-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-fluoro-5-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-fluoro-5-iodo-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H21FINO3 MolecularWeight: 469.288513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)I)F)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)I)F)C(=O)OC

InChI

InChI=1S/C20H21FINO3/c1-10-16(19(25)26-4)17(12-7-11(22)5-6-13(12)21)18-14(23-10)8-20(2,3)9-15(18)24/h5-7,17,23H,8-9H2,1-4H3