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

Systemtic Name: 3-[5-[(3R)-6-cyclohexyl-1-oxidanyl-1-oxidanylidene-hexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 3-[5-[(1R)-1-(carboxymethyl)-4-cyclohexyl-butyl]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 3-[5-[(3R)-6-cyclohexyl-1-hydroxy-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 3-[5-[(3R)-6-cyclohexyl-1-hydroxy-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 3-[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(=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c24-18(25)13-16(10-4-8-14-6-2-1-3-7-14)20-22-19(23-28-20)15-9-5-11-17(12-15)21(26)27/h5,9,11-12,14,16H,1-4,6-8,10,13H2,(H,24,25)(H,26,27)/t16-/m1/s1