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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

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