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

Systemtic Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: 1-(5-phenyl-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-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-phenyl-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-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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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=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5/c1-4-10-27-18-16(22)11-15(12-17(18)26-3)21(25)28-13(2)19-23-24-20(29-19)14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3