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

Systemtic Name: 4-[2-[2-(4-methyl-4-oxidanyl-heptyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(4-hydroxy-4-methyl-heptyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(4-hydroxy-4-methylheptyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(4-hydroxy-4-methylheptyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(4-hydroxy-4-methyl-heptyl)-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-3-11-20(2,26)12-4-13-21-14-10-18(23)22(21)15-9-16-5-7-17(8-6-16)19(24)25/h5-8,26H,3-4,9-15H2,1-2H3,(H,24,25)