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

Systemtic Name: 2-[4-[[5-(2-hydroxyethyloxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-(2-hydroxyethoxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-(2-hydroxyethoxy)-1-methyl-3-propyl-4-pyrazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(2-hydroxyethoxy)-1-methyl-3-propylpyrazol-4-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-(2-hydroxyethoxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OCCO)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OCCO)C

InChI

InChI=1S/C23H26N2O4/c1-3-6-21-20(22(25(2)24-21)29-14-13-26)15-16-9-11-17(12-10-16)18-7-4-5-8-19(18)23(27)28/h4-5,7-12,26H,3,6,13-15H2,1-2H3,(H,27,28)