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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O5/c1-15(2)11-12-27-18-10-9-17(13-19(18)26-3)22(25)28-14-20-23-24-21(29-20)16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3