1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic 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 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C22H23BrN2O5/c1-5-10-28-19-17(23)11-16(12-18(19)27-4)22(26)29-14(3)20-24-25-21(30-20)15-8-6-13(2)7-9-15/h6-9,11-12,14H,5,10H2,1-4H3