2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCC(C2=NC(=NO2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCCCC(C2=NC(=NO2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H26N2O5/c24-21(25)16(9-5-4-8-14-6-2-1-3-7-14)20-22-19(23-28-20)15-10-11-17-18(12-15)27-13-26-17/h10-12,14,16H,1-9,13H2,(H,24,25)