2-(1-butyl-3,5-diphenyl-pyrazol-4-yl)ethanoic acid

Systemtic Name: 2-(1-butyl-3,5-diphenyl-pyrazol-4-yl)ethanoic acid Openeye Name: 2-(1-butyl-3,5-diphenyl-pyrazol-4-yl)acetic acid CAS Name: 2-(1-butyl-3,5-diphenyl-4-pyrazolyl)acetic acid IUPAC Name: 2-(1-butyl-3,5-diphenylpyrazol-4-yl)acetic acid Traditional Name: 2-(1-butyl-3,5-diphenyl-pyrazol-4-yl)acetic acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C2=CC=CC=C2)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=C(C(=N1)C2=CC=CC=C2)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-2-3-14-23-21(17-12-8-5-9-13-17)18(15-19(24)25)20(22-23)16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,24,25)