1-[4-[4-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazino]phenyl]ethanone Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(C)(C)C)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(C)(C)C)O

InChI

InChI=1S/C25H34N2O3/c1-19(28)20-5-9-22(10-6-20)27-15-13-26(14-16-27)17-23(29)18-30-24-11-7-21(8-12-24)25(2,3)4/h5-12,23,29H,13-18H2,1-4H3