3-[[4-(3-pyrazol-1-ylphenyl)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-(3-pyrazol-1-ylphenyl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-(3-pyrazol-1-ylphenyl)phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[3-(1-pyrazolyl)phenyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-(3-pyrazol-1-ylphenyl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-(3-pyrazol-1-ylphenyl)phenoxy]methyl]benzoic acid Formula: C23H18N2O3 MolecularWeight: 370.40062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=N2)C3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=N2)C3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H18N2O3/c26-23(27)20-6-1-4-17(14-20)16-28-22-10-8-18(9-11-22)19-5-2-7-21(15-19)25-13-3-12-24-25/h1-15H,16H2,(H,26,27)