2-[2-oxidanyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one

Systemtic Name: 2-[2-oxidanyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one Openeye Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one CAS Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)-1-piperazinyl]propoxy]-9-xanthenone IUPAC Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one Traditional Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazino]propoxy]xanthone Formula: C28H30N2O5 MolecularWeight: 474.5482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C28H30N2O5/c31-21(19-30-14-12-29(13-15-30)16-17-33-22-6-2-1-3-7-22)20-34-23-10-11-27-25(18-23)28(32)24-8-4-5-9-26(24)35-27/h1-11,18,21,31H,12-17,19-20H2