4-[5-(4-chlorophenyl)-2-methoxycarbonyl-pyrazol-3-yl]butanoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-2-methoxycarbonyl-pyrazol-3-yl]butanoic acid Openeye Name: 4-[5-(4-chlorophenyl)-2-methoxycarbonyl-pyrazol-3-yl]butanoic acid CAS Name: 4-[5-(4-chlorophenyl)-2-methoxycarbonyl-3-pyrazolyl]butanoic acid IUPAC Name: 4-[5-(4-chlorophenyl)-2-methoxycarbonylpyrazol-3-yl]butanoic acid Traditional Name: 4-[2-carbomethoxy-5-(4-chlorophenyl)pyrazol-3-yl]butyric acid Formula: C15H15ClN2O4 MolecularWeight: 322.7436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)CCCC(=O)O

Isomeric SMILES

COC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)CCCC(=O)O

InChI

InChI=1S/C15H15ClN2O4/c1-22-15(21)18-12(3-2-4-14(19)20)9-13(17-18)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3,(H,19,20)