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

Systemtic Name: 3-[4-methoxy-2-(3-oxidanylpropyl)-5-[3-(4-phenylpiperidin-1-yl)propoxy]phenoxy]butan-2-one Openeye Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenyl-1-piperidyl)propoxy]phenoxy]butan-2-one CAS Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenyl-1-piperidinyl)propoxy]phenoxy]-2-butanone IUPAC Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenylpiperidin-1-yl)propoxy]phenoxy]butan-2-one Traditional Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-phenylpiperidino)propoxy]phenoxy]butan-2-one Formula: C28H39NO5 MolecularWeight: 469.61296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C28H39NO5/c1-21(31)22(2)34-26-20-28(27(32-3)19-25(26)11-7-17-30)33-18-8-14-29-15-12-24(13-16-29)23-9-5-4-6-10-23/h4-6,9-10,19-20,22,24,30H,7-8,11-18H2,1-3H3