2-[4-[[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC

Isomeric SMILES

CCCCC1=NNC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC

InChI

InChI=1S/C23H26N2O3/c1-3-4-9-21-20(22(15-28-2)25-24-21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(26)27/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,24,25)(H,26,27)