6-bromanyl-2-(4-ethoxyphenyl)-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-ethoxyphenyl)-3-methyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(4-ethoxyphenyl)-3-methyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-ethoxyphenyl)-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-methyl-2-p-phenetyl-cinchoninic acid Formula: C19H16BrNO3 MolecularWeight: 386.23924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)C

InChI

InChI=1S/C19H16BrNO3/c1-3-24-14-7-4-12(5-8-14)18-11(2)17(19(22)23)15-10-13(20)6-9-16(15)21-18/h4-10H,3H2,1-2H3,(H,22,23)