3-[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-phenethyloxy-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C21H22N2O3/c24-21(25)10-9-19-8-7-18(16-23-13-4-12-22-23)15-20(19)26-14-11-17-5-2-1-3-6-17/h1-8,12-13,15H,9-11,14,16H2,(H,24,25)