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

Systemtic Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-pyrazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-pyrazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-1-pyrazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(hydroxymethyl)-3-propylpyrazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-methylol-3-propyl-pyrazol-1-yl)methyl]phenyl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=NN(C(=C1)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-2-5-17-12-18(14-24)23(22-17)13-15-8-10-16(11-9-15)19-6-3-4-7-20(19)21(25)26/h3-4,6-12,24H,2,5,13-14H2,1H3,(H,25,26)