5-[5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[3-(4-bromophenyl)-5-(2,4-dimethoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H23BrN2O5/c1-29-16-10-11-17(20(12-16)30-2)19-13-18(14-6-8-15(23)9-7-14)24-25(19)21(26)4-3-5-22(27)28/h6-12,19H,3-5,13H2,1-2H3,(H,27,28)