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

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 1-[5-(p-tolyl)-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-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methylphenyl)-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-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H21BrN2O5/c1-13-4-6-15(7-5-13)22-25-24-21(30-22)14(2)29-20(27)11-9-18(26)17-12-16(23)8-10-19(17)28-3/h4-8,10,12,14H,9,11H2,1-3H3