2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,4-ditert-amylphenoxy)-1-[4-(2-furoyl)piperazino]ethanone Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C(C)(C)CC

InChI

InChI=1S/C27H38N2O4/c1-7-26(3,4)20-11-12-22(21(18-20)27(5,6)8-2)33-19-24(30)28-13-15-29(16-14-28)25(31)23-10-9-17-32-23/h9-12,17-18H,7-8,13-16,19H2,1-6H3