4-[5-[(3R)-6-cyclohexyl-1-oxidanyl-1-oxidanylidene-hexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 4-[5-[(3R)-6-cyclohexyl-1-oxidanyl-1-oxidanylidene-hexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 4-[5-[(1R)-1-(carboxymethyl)-4-cyclohexyl-butyl]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 4-[5-[(3R)-6-cyclohexyl-1-hydroxy-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 4-[5-[(3R)-6-cyclohexyl-1-hydroxy-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 4-[5-[(1R)-1-(carboxymethyl)-4-cyclohexyl-butyl]-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(CC(=O)O)C2=NC(=NO2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCC[C@H](CC(=O)O)C2=NC(=NO2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H26N2O5/c24-18(25)13-17(8-4-7-14-5-2-1-3-6-14)20-22-19(23-28-20)15-9-11-16(12-10-15)21(26)27/h9-12,14,17H,1-8,13H2,(H,24,25)(H,26,27)/t17-/m1/s1