3-[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-pyrazol-4-yl]propionic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)O)OC2=CC=C(C=C2)OC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)O)OC2=CC=C(C=C2)OC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H19ClN2O4/c1-13-18(10-11-19(24)25)20(27-17-8-6-16(26-2)7-9-17)23(22-13)15-5-3-4-14(21)12-15/h3-9,12H,10-11H2,1-2H3,(H,24,25)