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

Systemtic Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-methyl-4-pyrazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-5-(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=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-4-5-10-22-21(23(16-29-3)26(2)25-22)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)