4-[4-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]phenol CAS Name: 4-[4-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]piperazin-1-yl]phenol Traditional Name: 4-[4-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperazino]phenol Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)O)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@H](CN2CCN(CC2)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C22H28N2O3/c1-2-5-18-6-3-4-7-22(18)27-17-21(26)16-23-12-14-24(15-13-23)19-8-10-20(25)11-9-19/h2-4,6-11,21,25-26H,1,5,12-17H2/t21-/m0/s1