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

Systemtic Name: 5-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[3-(4-bromophenyl)-5-(2,3-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=CC(=C1OC)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O5/c1-29-19-6-3-5-16(22(19)30-2)18-13-17(14-9-11-15(23)12-10-14)24-25(18)20(26)7-4-8-21(27)28/h3,5-6,9-12,18H,4,7-8,13H2,1-2H3,(H,27,28)