3-[5-(4-pentoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 3-[5-(4-pentoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 3-[5-(4-pentoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 3-[5-(4-pentoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 3-[5-(4-pentoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 3-[5-(4-amoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4/c1-2-3-4-12-25-17-10-8-14(9-11-17)19-21-18(22-26-19)15-6-5-7-16(13-15)20(23)24/h5-11,13H,2-4,12H2,1H3,(H,23,24)