6-bromanyl-3-(carboxymethyl)-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3-(carboxymethyl)-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-(carboxymethyl)-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-3-(carboxymethyl)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-(carboxymethyl)-2-phenyl-cinchoninic acid Formula: C18H12BrNO4 MolecularWeight: 386.19618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO4/c19-11-6-7-14-12(8-11)16(18(23)24)13(9-15(21)22)17(20-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)(H,23,24)