3-[2-(2-methoxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-methoxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-methoxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(2-methoxy-3-phenoxypropoxy)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-methoxy-3-phenoxypropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-methoxy-3-phenoxy-propoxy)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(COC1=CC=CC=C1)COC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

COC(COC1=CC=CC=C1)COC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C23H26N2O5/c1-28-21(16-29-20-6-3-2-4-7-20)17-30-22-14-18(15-25-13-5-12-24-25)8-9-19(22)10-11-23(26)27/h2-9,12-14,21H,10-11,15-17H2,1H3,(H,26,27)