2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid

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

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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=C(C=C3)Cl)O

Isomeric SMILES

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

InChI

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