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

Systemtic Name: 6-ethyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-[3-(p-tolyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-[3-(p-tolyl)anthranil-5-yl]cinchoninic acid Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H20N2O3/c1-3-16-6-10-22-19(12-16)20(26(29)30)14-24(27-22)18-9-11-23-21(13-18)25(31-28-23)17-7-4-15(2)5-8-17/h4-14H,3H2,1-2H3,(H,29,30)