6-bromanyl-2-[4-(carboxymethyloxy)phenyl]-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-(carboxymethyloxy)phenyl]-3-methyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]-3-methyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]-3-methylquinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]-3-methyl-cinchoninic acid Formula: C19H14BrNO5 MolecularWeight: 416.22216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)Br)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)Br)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C19H14BrNO5/c1-10-17(19(24)25)14-8-12(20)4-7-15(14)21-18(10)11-2-5-13(6-3-11)26-9-16(22)23/h2-8H,9H2,1H3,(H,22,23)(H,24,25)