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

Systemtic Name: 8-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Openeye Name: 8-methyl-2-[3-(p-tolyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 8-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylic acid IUPAC Name: 8-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid Traditional Name: 8-methyl-2-[3-(p-tolyl)anthranil-5-yl]cinchoninic acid Formula: C25H18N2O3 MolecularWeight: 394.42202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=CC=C5C)C(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=CC=C5C)C(=C4)C(=O)O

InChI

InChI=1S/C25H18N2O3/c1-14-6-8-16(9-7-14)24-20-12-17(10-11-21(20)27-30-24)22-13-19(25(28)29)18-5-3-4-15(2)23(18)26-22/h3-13H,1-2H3,(H,28,29)