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

Systemtic Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(3-methoxyphenoxy)pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(3-methoxyphenoxy)pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(3-methoxyphenoxy)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(3-methoxyphenoxy)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(3-methoxyphenoxy)pyrazol-4-yl]propionic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-3-19-18(10-11-20(25)26)21(28-17-9-5-8-16(13-17)27-2)24(23-19)15-7-4-6-14(22)12-15/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,26)