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

Systemtic Name: 3-[4-methoxy-2-(3-oxidanylpropyl)-5-[3-(4-phenylpiperazin-1-yl)propoxy]phenoxy]butan-2-one Openeye Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenylpiperazin-1-yl)propoxy]phenoxy]butan-2-one CAS Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenyl-1-piperazinyl)propoxy]phenoxy]-2-butanone IUPAC Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenylpiperazin-1-yl)propoxy]phenoxy]butan-2-one Traditional Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenylpiperazino)propoxy]phenoxy]butan-2-one Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C27H38N2O5/c1-21(31)22(2)34-25-20-27(26(32-3)19-23(25)9-7-17-30)33-18-8-12-28-13-15-29(16-14-28)24-10-5-4-6-11-24/h4-6,10-11,19-20,22,30H,7-9,12-18H2,1-3H3