2-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]acetic acid CAS Name: 2-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid Traditional Name: 2-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]acetic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-2-3-13-26-19-11-9-16(10-12-19)21-17(14-20(24)25)15-23(22-21)18-7-5-4-6-8-18/h4-12,15H,2-3,13-14H2,1H3,(H,24,25)