(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H21ClN2O5/c1-3-10-27-19-16(22)11-15(12-17(19)26-4-2)21(25)28-13-18-23-24-20(29-18)14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3