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

Systemtic Name: 3-[2-(2-phenoxyethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-phenoxyethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(2-phenoxyethoxy)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-phenoxyethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-phenoxyethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C21H22N2O4/c24-21(25)10-9-18-8-7-17(16-23-12-4-11-22-23)15-20(18)27-14-13-26-19-5-2-1-3-6-19/h1-8,11-12,15H,9-10,13-14,16H2,(H,24,25)