4-[2-[2-(4,7-dimethyl-4-oxidanyl-octyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-(4,7-dimethyl-4-oxidanyl-octyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(4-hydroxy-4,7-dimethyl-octyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(4-hydroxy-4,7-dimethyloctyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(4-hydroxy-4,7-dimethyloctyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(4-hydroxy-4,7-dimethyl-octyl)-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-17(2)9-13-22(3,28)12-4-14-23-15-11-20(25)24(23)16-10-18-5-7-19(8-6-18)21(26)27/h5-8,17,28H,4,9-16H2,1-3H3,(H,26,27)