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

Systemtic Name: 4-[2-[2-(5-methyl-4-oxidanyl-octyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(4-hydroxy-5-methyl-octyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(4-hydroxy-5-methyloctyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(4-hydroxy-5-methyloctyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(4-hydroxy-5-methyl-octyl)-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-3-5-16(2)19(24)6-4-13-22-14-12-20(25)23(22)15-11-17-7-9-18(10-8-17)21(26)27/h7-10,16,19,24H,3-6,11-15H2,1-2H3,(H,26,27)