(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H28FNO2 MolecularWeight: 441.536523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)C)C(C)(C)C

InChI

InChI=1S/C29H28FNO2/c1-18-14-21(29(3,4)5)15-19(2)25(18)17-33-28(32)24-16-27(20-10-12-22(30)13-11-20)31-26-9-7-6-8-23(24)26/h6-16H,17H2,1-5H3