7-bromanyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 7-bromanyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid Openeye Name: 7-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid CAS Name: 7-bromo-2-(4-tert-butylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 7-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid Traditional Name: 7-bromo-2-(4-tert-butylphenyl)cinchoninic acid Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C20H18BrNO2/c1-20(2,3)13-6-4-12(5-7-13)17-11-16(19(23)24)15-9-8-14(21)10-18(15)22-17/h4-11H,1-3H3,(H,23,24)