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

Systemtic Name: 2-[4-[[5-butyl-3-(methoxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-butyl-3-(methoxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butyl-3-(methoxymethyl)-1-methyl-4-pyrazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-butyl-3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-butyl-3-(methoxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1C)COC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=C(C(=NN1C)COC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H28N2O3/c1-4-5-10-23-21(22(16-29-3)25-26(23)2)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(27)28/h6-9,11-14H,4-5,10,15-16H2,1-3H3,(H,27,28)