2-phenyl-4-propyl-5-(pyrazol-1-ylmethyl)benzoic acid

Systemtic Name: 2-phenyl-4-propyl-5-(pyrazol-1-ylmethyl)benzoic acid Openeye Name: 2-phenyl-4-propyl-5-(pyrazol-1-ylmethyl)benzoic acid CAS Name: 2-phenyl-4-propyl-5-(1-pyrazolylmethyl)benzoic acid IUPAC Name: 2-phenyl-4-propyl-5-(pyrazol-1-ylmethyl)benzoic acid Traditional Name: 2-phenyl-4-propyl-5-(pyrazol-1-ylmethyl)benzoic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)C(=O)O)CN3C=CC=N3

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)C(=O)O)CN3C=CC=N3

InChI

InChI=1S/C20H20N2O2/c1-2-7-16-12-18(15-8-4-3-5-9-15)19(20(23)24)13-17(16)14-22-11-6-10-21-22/h3-6,8-13H,2,7,14H2,1H3,(H,23,24)