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

Systemtic Name: 5-(4-chlorophenyl)-2-(2-oxidanyl-3-phenoxy-propyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-2-(2-hydroxy-3-phenoxy-propyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-2-(2-hydroxy-3-phenoxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-2-(2-hydroxy-3-phenoxypropyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-2-(2-hydroxy-3-phenoxy-propyl)pyrazole-3-carboxylic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)O

InChI

InChI=1S/C19H17ClN2O4/c20-14-8-6-13(7-9-14)17-10-18(19(24)25)22(21-17)11-15(23)12-26-16-4-2-1-3-5-16/h1-10,15,23H,11-12H2,(H,24,25)