3-[4-methoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]-2-(3-oxidanylpropyl)phenoxy]butan-2-one

Systemtic Name: 3-[4-methoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]-2-(3-oxidanylpropyl)phenoxy]butan-2-one Openeye Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]phenoxy]butan-2-one CAS Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-methyl-1-piperazinyl)propoxy]phenoxy]-2-butanone IUPAC Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]phenoxy]butan-2-one Traditional Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-methylpiperazino)propoxy]phenoxy]butan-2-one Formula: C22H36N2O5 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C

Isomeric SMILES

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C

InChI

InChI=1S/C22H36N2O5/c1-17(26)18(2)29-20-16-22(21(27-4)15-19(20)7-5-13-25)28-14-6-8-24-11-9-23(3)10-12-24/h15-16,18,25H,5-14H2,1-4H3