2-[3-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]-2-oxidanyl-propoxy]xanthen-9-one

Systemtic Name: 2-[3-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]-2-oxidanyl-propoxy]xanthen-9-one Openeye Name: 2-[3-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]-2-hydroxy-propoxy]xanthen-9-one CAS Name: 2-[3-[4-[2-(2,6-dimethylphenoxy)ethyl]-1-piperazinyl]-2-hydroxypropoxy]-9-xanthenone IUPAC Name: 2-[3-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]-2-hydroxypropoxy]xanthen-9-one Traditional Name: 2-[3-[4-[2-(2,6-dimethylphenoxy)ethyl]piperazino]-2-hydroxy-propoxy]xanthone Formula: C30H34N2O5 MolecularWeight: 502.60136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCN2CCN(CC2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCN2CCN(CC2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C30H34N2O5/c1-21-6-5-7-22(2)30(21)35-17-16-31-12-14-32(15-13-31)19-23(33)20-36-24-10-11-28-26(18-24)29(34)25-8-3-4-9-27(25)37-28/h3-11,18,23,33H,12-17,19-20H2,1-2H3