1-[3-[(2S)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-[(2S)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[(2S)-2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone CAS Name: 1-[3-[(2S)-2-hydroxy-3-[4-(4-hydroxyphenyl)-1-piperazinyl]propoxy]phenyl]ethanone IUPAC Name: 1-[3-[(2S)-2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[3-[(2S)-2-hydroxy-3-[4-(4-hydroxyphenyl)piperazino]propoxy]phenyl]ethanone Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@H](CN2CCN(CC2)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C21H26N2O4/c1-16(24)17-3-2-4-21(13-17)27-15-20(26)14-22-9-11-23(12-10-22)18-5-7-19(25)8-6-18/h2-8,13,20,25-26H,9-12,14-15H2,1H3/t20-/m0/s1