2-[3-[[2-(4-tert-butylphenyl)-5-oxidanylidene-pyrazolidin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[2-(4-tert-butylphenyl)-5-oxidanylidene-pyrazolidin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[2-(4-tert-butylphenyl)-5-oxo-pyrazolidin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[2-(4-tert-butylphenyl)-5-oxo-1-pyrazolidinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[2-(4-tert-butylphenyl)-5-oxopyrazolidin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[2-(4-tert-butylphenyl)-5-keto-pyrazolidin-1-yl]methyl]phenoxy]acetic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CCC(=O)N2CC3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCC(=O)N2CC3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C22H26N2O4/c1-22(2,3)17-7-9-18(10-8-17)23-12-11-20(25)24(23)14-16-5-4-6-19(13-16)28-15-21(26)27/h4-10,13H,11-12,14-15H2,1-3H3,(H,26,27)