5-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: 5-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: 5-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 5-bromo-2-(4-methylphenyl)-4-quinolinecarboxylate IUPAC Name: 5-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 5-bromo-2-(p-tolyl)cinchoninate Formula: C17H11BrNO2- MolecularWeight: 341.17874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H12BrNO2/c1-10-5-7-11(8-6-10)15-9-12(17(20)21)16-13(18)3-2-4-14(16)19-15/h2-9H,1H3,(H,20,21)/p-1