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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C26H18ClN3O4 MolecularWeight: 471.89182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C26H18ClN3O4/c1-33-17-9-6-15(7-10-17)22-13-20(18-4-2-3-5-21(18)28-22)26(32)34-14-24-29-23-12-16(27)8-11-19(23)25(31)30-24/h2-13H,14H2,1H3,(H,29,30,31)