(5-methyl-2-propan-2-yl-phenyl) 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C26H21BrClNO2 MolecularWeight: 494.80744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21BrClNO2/c1-15(2)20-10-4-16(3)12-25(20)31-26(30)22-14-24(17-5-8-19(28)9-6-17)29-23-11-7-18(27)13-21(22)23/h4-15H,1-3H3