2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Openeye Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Traditional Name: 2-[3-(4-chlorophenyl)anthranil-5-yl]cinchoninic acid Formula: C23H13ClN2O3 MolecularWeight: 400.81392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C23H13ClN2O3/c24-15-8-5-13(6-9-15)22-18-11-14(7-10-20(18)26-29-22)21-12-17(23(27)28)16-3-1-2-4-19(16)25-21/h1-12H,(H,27,28)