3-[4-cycloheptyloxy-3-(1-ethylindazol-5-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-cycloheptyloxy-3-(1-ethylindazol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-(cycloheptoxy)-3-(1-ethylindazol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-cycloheptyloxy-3-(1-ethyl-5-indazolyl)phenyl]propanoic acid IUPAC Name: 3-[4-cycloheptyloxy-3-(1-ethylindazol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-(cycloheptoxy)-3-(1-ethylindazol-5-yl)phenyl]propionic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OC4CCCCCC4)C=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OC4CCCCCC4)C=N1

InChI

InChI=1S/C25H30N2O3/c1-2-27-23-12-11-19(16-20(23)17-26-27)22-15-18(10-14-25(28)29)9-13-24(22)30-21-7-5-3-4-6-8-21/h9,11-13,15-17,21H,2-8,10,14H2,1H3,(H,28,29)