2-[[1-[(2S)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methyl]-3-oxidanyl-phenalen-1-one

Systemtic Name: 2-[[1-[(2S)-3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methyl]-3-oxidanyl-phenalen-1-one Openeye Name: 2-[[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-piperidyl]methyl]-3-hydroxy-phenalen-1-one CAS Name: 2-[[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-piperidinyl]methyl]-3-hydroxy-1-phenalenone IUPAC Name: 2-[[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]-3-hydroxyphenalen-1-one Traditional Name: 2-[[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-piperidyl]methyl]-3-hydroxy-phenalen-1-one Formula: C28H28FNO4 MolecularWeight: 461.524623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)CC(COC5=CC=C(C=C5)F)O

Isomeric SMILES

C1CN(CCC1CC2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)C[C@@H](COC5=CC=C(C=C5)F)O

InChI

InChI=1S/C28H28FNO4/c29-20-7-9-22(10-8-20)34-17-21(31)16-30-13-11-18(12-14-30)15-25-27(32)23-5-1-3-19-4-2-6-24(26(19)23)28(25)33/h1-10,18,21,31-32H,11-17H2/t21-/m0/s1