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

Systemtic Name: 4-[2-[2-(5-methyl-3-oxidanyl-hexyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(3-hydroxy-5-methyl-hexyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(3-hydroxy-5-methylhexyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(3-hydroxy-5-methylhexyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(3-hydroxy-5-methyl-hexyl)-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-14(2)13-17(22)8-10-20-11-9-18(23)21(20)12-7-15-3-5-16(6-4-15)19(24)25/h3-6,14,17,22H,7-13H2,1-2H3,(H,24,25)