sodium 2-[2-(2-methylpropyl)-4,5-diphenyl-pyrazol-3-yl]ethanoic acid

Systemtic Name: sodium 2-[2-(2-methylpropyl)-4,5-diphenyl-pyrazol-3-yl]ethanoic acid Openeye Name: sodium 2-(2-isobutyl-4,5-diphenyl-pyrazol-3-yl)acetic acid CAS Name: sodium 2-[2-(2-methylpropyl)-4,5-diphenyl-3-pyrazolyl]acetic acid IUPAC Name: sodium 2-[2-(2-methylpropyl)-4,5-diphenylpyrazol-3-yl]acetic acid Traditional Name: sodium 2-(2-isobutyl-4,5-diphenyl-pyrazol-3-yl)acetic acid Formula: C21H22N2NaO2+ MolecularWeight: 357.40135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O.[Na+]

Isomeric SMILES

CC(C)CN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O.[Na+]

InChI

InChI=1S/C21H22N2O2.Na/c1-15(2)14-23-18(13-19(24)25)20(16-9-5-3-6-10-16)21(22-23)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3,(H,24,25);/q;+1