2-[[2-(2-butyl-1,5-dihydropyrazol-5-yl)-5-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-butyl-1,5-dihydropyrazol-5-yl)-5-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 2-[[2-(2-butyl-1,5-dihydropyrazol-5-yl)-5-methoxy-phenoxy]methyl]benzoic acid CAS Name: 2-[[2-(2-butyl-1,5-dihydropyrazol-5-yl)-5-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 2-[[2-(2-butyl-1,5-dihydropyrazol-5-yl)-5-methoxyphenoxy]methyl]benzoic acid Traditional Name: 2-[[2-(1-butyl-3-pyrazolin-3-yl)-5-methoxy-phenoxy]methyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(N1)C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCN1C=CC(N1)C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-3-4-12-24-13-11-20(23-24)19-10-9-17(27-2)14-21(19)28-15-16-7-5-6-8-18(16)22(25)26/h5-11,13-14,20,23H,3-4,12,15H2,1-2H3,(H,25,26)