2-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazino]acetamide Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCN(CC2)CC(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCN(CC2)CC(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C27H39N3O3/c1-21-16-23(27(2,3)4)10-11-25(21)33-20-24(31)18-29-12-14-30(15-13-29)19-26(32)28-17-22-8-6-5-7-9-22/h5-11,16,24,31H,12-15,17-20H2,1-4H3,(H,28,32)