4-[2-[2-(4-ethyl-4-oxidanyl-octyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-(4-ethyl-4-oxidanyl-octyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(4-ethyl-4-hydroxy-octyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(4-ethyl-4-hydroxyoctyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(4-ethyl-4-hydroxyoctyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(4-ethyl-4-hydroxy-octyl)-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CCCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCCCC(CC)(CCCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C22H34N2O4/c1-3-5-13-22(28,4-2)14-6-15-23-16-12-20(25)24(23)17-11-18-7-9-19(10-8-18)21(26)27/h7-10,28H,3-6,11-17H2,1-2H3,(H,26,27)