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

Systemtic Name: 2-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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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=C3OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC(COC3=CC=CC=C3OC)O

InChI

InChI=1S/C21H22N2O6/c1-27-16-9-7-14(8-10-16)17-11-18(21(25)26)23(22-17)12-15(24)13-29-20-6-4-3-5-19(20)28-2/h3-11,15,24H,12-13H2,1-2H3,(H,25,26)