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

Systemtic Name: 5-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(3,4-dimethoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-28-19-12-11-16(13-20(19)29-2)18-14-17(15-7-4-3-5-8-15)23-24(18)21(25)9-6-10-22(26)27/h3-5,7-8,11-13,18H,6,9-10,14H2,1-2H3,(H,26,27)