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

Systemtic Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-pyrazol-4-yl]propanoic acid CAS Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]propanoic acid Traditional Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-pyrazol-4-yl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-3-19-18(13-14-20(24)25)21(27-17-7-5-4-6-8-17)23(22-19)15-9-11-16(26-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,24,25)