3-[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[3-butyl-5-(methoxymethyl)-1H-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=C1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)COC

Isomeric SMILES

CCCCC1=NNC(=C1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)COC

InChI

InChI=1S/C23H26N2O3/c1-4-5-11-19-22(20(14-28-3)25-24-19)17-12-13-18(16-9-7-6-8-10-16)21(15(17)2)23(26)27/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,24,25)(H,26,27)