4-[2-[5-oxidanylidene-2-(3-oxidanyloctyl)pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-oxidanylidene-2-(3-oxidanyloctyl)pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(3-hydroxyoctyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(3-hydroxyoctyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(3-hydroxyoctyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(3-hydroxyoctyl)-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCCCCC(CCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C20H30N2O4/c1-2-3-4-5-18(23)11-13-21-14-12-19(24)22(21)15-10-16-6-8-17(9-7-16)20(25)26/h6-9,18,23H,2-5,10-15H2,1H3,(H,25,26)