6-bromanyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-ethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(4-ethylphenyl)cinchoninic acid Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C18H14BrNO2/c1-2-11-3-5-12(6-4-11)17-10-15(18(21)22)14-9-13(19)7-8-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)