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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H19BrN2O5/c1-3-9-26-18-15(21)10-14(11-16(18)25-2)20(24)27-12-17-22-19(23-28-17)13-7-5-4-6-8-13/h4-8,10-11H,3,9,12H2,1-2H3