2-[3-propyl-4-(pyrazol-1-ylmethyl)phenyl]benzoic acid

Systemtic Name: 2-[3-propyl-4-(pyrazol-1-ylmethyl)phenyl]benzoic acid Openeye Name: 2-[3-propyl-4-(pyrazol-1-ylmethyl)phenyl]benzoic acid CAS Name: 2-[3-propyl-4-(1-pyrazolylmethyl)phenyl]benzoic acid IUPAC Name: 2-[3-propyl-4-(pyrazol-1-ylmethyl)phenyl]benzoic acid Traditional Name: 2-[3-propyl-4-(pyrazol-1-ylmethyl)phenyl]benzoic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)O)CN3C=CC=N3

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)O)CN3C=CC=N3

InChI

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