3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid CAS Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CCC(=O)O)OC2=CC=CC(=C2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=NN(C(=C1CCC(=O)O)OC2=CC=CC(=C2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N2O4/c1-4-20-19(12-13-21(25)26)22(28-18-7-5-6-15(2)14-18)24(23-20)16-8-10-17(27-3)11-9-16/h5-11,14H,4,12-13H2,1-3H3,(H,25,26)