1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CC=C2)OC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CC=C2)OC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

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