1-[3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyl-octoxy]phenyl]-4-methyl-pyrazolidin-3-one

Systemtic Name: 1-[3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyl-octoxy]phenyl]-4-methyl-pyrazolidin-3-one Openeye Name: 4-methyl-1-[3-[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octoxy]phenyl]pyrazolidin-3-one CAS Name: 1-[3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenyl]-4-methyl-3-pyrazolidinone IUPAC Name: 1-[3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenyl]-4-methylpyrazolidin-3-one Traditional Name: 4-methyl-1-[3-[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octoxy]phenyl]pyrazolidin-3-one Formula: C28H48N2O2 MolecularWeight: 444.69292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(NC1=O)C2=CC(=CC=C2)OCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C

Isomeric SMILES

CC1CN(NC1=O)C2=CC(=CC=C2)OCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C

InChI

InChI=1S/C28H48N2O2/c1-20(16-27(4,5)6)13-14-23(21(2)17-28(7,8)9)19-32-25-12-10-11-24(15-25)30-18-22(3)26(31)29-30/h10-12,15,20-23H,13-14,16-19H2,1-9H3,(H,29,31)