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

Systemtic Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-[3-(4-chlorophenyl)anthranil-5-yl]-6-ethyl-cinchoninic acid Formula: C25H17ClN2O3 MolecularWeight: 428.86708

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H17ClN2O3/c1-2-14-3-9-21-18(11-14)19(25(29)30)13-23(27-21)16-6-10-22-20(12-16)24(31-28-22)15-4-7-17(26)8-5-15/h3-13H,2H2,1H3,(H,29,30)