tert-butyl 6-(3-cyano-5-fluoranyl-phenyl)-2,2,4-trimethyl-quinoline-1-carboxylate

Systemtic Name: tert-butyl 6-(3-cyano-5-fluoranyl-phenyl)-2,2,4-trimethyl-quinoline-1-carboxylate Openeye Name: tert-butyl 6-(3-cyano-5-fluoro-phenyl)-2,2,4-trimethyl-quinoline-1-carboxylate CAS Name: 6-(3-cyano-5-fluorophenyl)-2,2,4-trimethyl-1-quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(3-cyano-5-fluorophenyl)-2,2,4-trimethylquinoline-1-carboxylate Traditional Name: 6-(3-cyano-5-fluoro-phenyl)-2,2,4-trimethyl-quinoline-1-carboxylic acid tert-butyl ester Formula: C24H25FN2O2 MolecularWeight: 392.465903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C24H25FN2O2/c1-15-13-24(5,6)27(22(28)29-23(2,3)4)21-8-7-17(12-20(15)21)18-9-16(14-26)10-19(25)11-18/h7-13H,1-6H3