5-(4-chlorophenyl)-2-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-2-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]pyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]pyrazole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]pyrazole-3-carboxylic acid Formula: C20H19ClN2O5 MolecularWeight: 402.82826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1OCC(CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O)O

InChI

InChI=1S/C20H19ClN2O5/c1-27-18-4-2-3-5-19(18)28-12-15(24)11-23-17(20(25)26)10-16(22-23)13-6-8-14(21)9-7-13/h2-10,15,24H,11-12H2,1H3,(H,25,26)