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

Systemtic Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-benzoic acid CAS Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoic acid IUPAC Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoic acid Traditional Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=NOC(=N2)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=NOC(=N2)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H22N2O3/c1-14-13-18(22(25)26)11-12-19(14)20-23-21(27-24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)