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

Systemtic Name: 4-[2-[2-(4-methyl-3-oxidanyl-heptyl)-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(3-hydroxy-4-methyl-heptyl)-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(3-hydroxy-4-methylheptyl)-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(3-hydroxy-4-methylheptyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(3-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)C(CCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

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

InChI

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