4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid

Systemtic Name: 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid Openeye Name: 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid CAS Name: 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid IUPAC Name: 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid Traditional Name: 4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H24N2O3/c1-2-3-4-5-14-27-19-12-10-17(11-13-19)21-15-20(23-24-21)16-6-8-18(9-7-16)22(25)26/h6-13,15H,2-5,14H2,1H3,(H,23,24)(H,25,26)