4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CCC(C2)(C)C)C(=N1)C3=NC(=NO3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCN1C2=C(CCC(C2)(C)C)C(=N1)C3=NC(=NO3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H22N4O3/c1-4-24-15-11-20(2,3)10-9-14(15)16(22-24)18-21-17(23-27-18)12-5-7-13(8-6-12)19(25)26/h5-8H,4,9-11H2,1-3H3,(H,25,26)