(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H19ClN2O5/c1-26-14-7-12(8-15(10-14)27-2)3-6-19(24)28-11-18-22-17-5-4-13(21)9-16(17)20(25)23-18/h4-5,7-10H,3,6,11H2,1-2H3,(H,22,23,25)