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

Systemtic Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-methylphenoxy)pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-methylphenoxy)pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-methylphenoxy)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-methylphenoxy)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-methylphenoxy)pyrazol-4-yl]propionic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-3-19-18(11-12-20(25)26)21(27-17-9-7-14(2)8-10-17)24(23-19)16-6-4-5-15(22)13-16/h4-10,13H,3,11-12H2,1-2H3,(H,25,26)