6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate

Systemtic Name: 6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate Openeye Name: 6-methyl-2-[3-(p-tolyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylate IUPAC Name: 6-methyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate Traditional Name: 6-methyl-2-[3-(p-tolyl)anthranil-5-yl]cinchoninate Formula: C25H17N2O3- MolecularWeight: 393.41408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)C)C(=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)C)C(=C4)C(=O)[O-]

InChI

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