5-(4-methoxyphenyl)-2-(2-oxidanyl-3-phenoxy-propyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methoxyphenyl)-2-(2-oxidanyl-3-phenoxy-propyl)pyrazole-3-carboxylic acid Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 2-(2-hydroxy-3-phenoxypropyl)-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-(2-hydroxy-3-phenoxy-propyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O5/c1-26-16-9-7-14(8-10-16)18-11-19(20(24)25)22(21-18)12-15(23)13-27-17-5-3-2-4-6-17/h2-11,15,23H,12-13H2,1H3,(H,24,25)