2-[[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-phenethyloxy-4-(1-pyrazolylmethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-phenethyloxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-phenethyloxy-4-(pyrazol-1-ylmethyl)benzyl]benzoic acid Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=CC(=C2)CN3C=CC=N3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=CC(=C2)CN3C=CC=N3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H24N2O3/c29-26(30)24-10-5-4-9-22(24)18-23-12-11-21(19-28-15-6-14-27-28)17-25(23)31-16-13-20-7-2-1-3-8-20/h1-12,14-15,17H,13,16,18-19H2,(H,29,30)