1-[3-[[2,4-bis(2-methylbutan-2-yl)phenyl]methoxy]phenyl]-4-methyl-pyrazolidin-3-one

Systemtic Name: 1-[3-[[2,4-bis(2-methylbutan-2-yl)phenyl]methoxy]phenyl]-4-methyl-pyrazolidin-3-one Openeye Name: 1-[3-[[2,4-bis(1,1-dimethylpropyl)phenyl]methoxy]phenyl]-4-methyl-pyrazolidin-3-one CAS Name: 1-[3-[[2,4-bis(2-methylbutan-2-yl)phenyl]methoxy]phenyl]-4-methyl-3-pyrazolidinone IUPAC Name: 1-[3-[[2,4-bis(2-methylbutan-2-yl)phenyl]methoxy]phenyl]-4-methylpyrazolidin-3-one Traditional Name: 1-[3-(2,4-ditert-amylbenzyl)oxyphenyl]-4-methyl-pyrazolidin-3-one Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)COC2=CC=CC(=C2)N3CC(C(=O)N3)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)COC2=CC=CC(=C2)N3CC(C(=O)N3)C)C(C)(C)CC

InChI

InChI=1S/C27H38N2O2/c1-8-26(4,5)21-14-13-20(24(15-21)27(6,7)9-2)18-31-23-12-10-11-22(16-23)29-17-19(3)25(30)28-29/h10-16,19H,8-9,17-18H2,1-7H3,(H,28,30)