[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C21H19ClN2O5/c1-28-18-10-9-13(11-15(18)22)17(25)12-29-20(26)8-4-7-19-23-16-6-3-2-5-14(16)21(27)24-19/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,23,24,27)