6-bromanyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(2-methoxy-5-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2-methoxy-5-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(2-methoxy-5-methyl-phenyl)cinchoninic acid Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C18H14BrNO3/c1-10-3-6-17(23-2)14(7-10)16-9-13(18(21)22)12-8-11(19)4-5-15(12)20-16/h3-9H,1-2H3,(H,21,22)