1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H19BrN2O5/c1-12(20-23-16-6-4-3-5-14(16)21(27)24-20)29-19(26)10-8-17(25)15-11-13(22)7-9-18(15)28-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,23,24,27)