(2-butan-2-ylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: (2-butan-2-ylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: (2-sec-butylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6,8-dimethyl-cinchoninic acid (2-sec-butylphenyl) ester Formula: C28H26BrNO2 MolecularWeight: 488.41554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H26BrNO2/c1-5-18(3)22-8-6-7-9-26(22)32-28(31)24-16-25(20-10-12-21(29)13-11-20)30-27-19(4)14-17(2)15-23(24)27/h6-16,18H,5H2,1-4H3