4-[2-[5-oxidanylidene-2-(4-oxidanylnon-2-ynyl)pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-oxidanylidene-2-(4-oxidanylnon-2-ynyl)pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(4-hydroxynon-2-ynyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(4-hydroxynon-2-ynyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(4-hydroxynon-2-ynyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(4-hydroxynon-2-ynyl)-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-2-3-4-6-19(24)7-5-14-22-15-13-20(25)23(22)16-12-17-8-10-18(11-9-17)21(26)27/h8-11,19,24H,2-4,6,12-16H2,1H3,(H,26,27)