3-[3-(1-methylindazol-5-yl)-4-(2-methylpropoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-(1-methylindazol-5-yl)-4-(2-methylpropoxy)phenyl]propanoic acid Openeye Name: 3-[4-isobutoxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid CAS Name: 3-[3-(1-methyl-5-indazolyl)-4-(2-methylpropoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(1-methylindazol-5-yl)-4-(2-methylpropoxy)phenyl]propanoic acid Traditional Name: 3-[4-isobutoxy-3-(1-methylindazol-5-yl)phenyl]propionic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N(N=C3)C

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)N(N=C3)C

InChI

InChI=1S/C21H24N2O3/c1-14(2)13-26-20-8-4-15(5-9-21(24)25)10-18(20)16-6-7-19-17(11-16)12-22-23(19)3/h4,6-8,10-12,14H,5,9,13H2,1-3H3,(H,24,25)