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

Systemtic Name: 4-[5-(4-bromophenyl)-2-methoxycarbonyl-pyrazol-3-yl]butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-2-methoxycarbonyl-pyrazol-3-yl]butanoic acid CAS Name: 4-[5-(4-bromophenyl)-2-methoxycarbonyl-3-pyrazolyl]butanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-2-methoxycarbonylpyrazol-3-yl]butanoic acid Traditional Name: 4-[5-(4-bromophenyl)-2-carbomethoxy-pyrazol-3-yl]butyric acid Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O4/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)