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

Systemtic Name: 2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-isopropyl-2-[3-(p-tolyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-isopropyl-2-[3-(p-tolyl)anthranil-5-yl]cinchoninic acid Formula: C27H22N2O3 MolecularWeight: 422.47518

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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)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)C)C(=C4)C(=O)O

InChI

InChI=1S/C27H22N2O3/c1-15(2)18-8-10-23-20(12-18)21(27(30)31)14-25(28-23)19-9-11-24-22(13-19)26(32-29-24)17-6-4-16(3)5-7-17/h4-15H,1-3H3,(H,30,31)