(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C27H20ClN3O3 MolecularWeight: 469.919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl)C

InChI

InChI=1S/C27H20ClN3O3/c1-15-7-9-18(16(2)11-15)24-13-21(19-5-3-4-6-22(19)29-24)27(33)34-14-25-30-23-12-17(28)8-10-20(23)26(32)31-25/h3-13H,14H2,1-2H3,(H,30,31,32)