(5-methyl-2-propan-2-yl-phenyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C26H22BrNO2 MolecularWeight: 460.36238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H22BrNO2/c1-16(2)20-13-8-17(3)14-25(20)30-26(29)22-15-24(18-9-11-19(27)12-10-18)28-23-7-5-4-6-21(22)23/h4-16H,1-3H3