(5-methyl-2-propan-2-yl-phenyl) 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-6,8-dimethyl-cinchoninic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C28H26FNO2 MolecularWeight: 427.509943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H26FNO2/c1-16(2)22-11-6-17(3)14-26(22)32-28(31)24-15-25(20-7-9-21(29)10-8-20)30-27-19(5)12-18(4)13-23(24)27/h6-16H,1-5H3