1-[2-[[3-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]ethyl]piperidin-4-ol

Systemtic Name: 1-[2-[[3-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]ethyl]piperidin-4-ol Openeye Name: 1-[2-[[3-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methylamino]ethyl]piperidin-4-ol CAS Name: 1-[2-[[3-[3-(1-azocanyl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]ethyl]-4-piperidinol IUPAC Name: 1-[2-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]ethyl]piperidin-4-ol Traditional Name: 1-[2-[[3-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]amino]ethyl]piperidin-4-ol Formula: C25H43N3O4 MolecularWeight: 449.62662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCN2CCC(CC2)O)OCC(CN3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCN2CCC(CC2)O)OCC(CN3CCCCCCC3)O

InChI

InChI=1S/C25H43N3O4/c1-31-24-8-7-21(18-26-11-16-27-14-9-22(29)10-15-27)17-25(24)32-20-23(30)19-28-12-5-3-2-4-6-13-28/h7-8,17,22-23,26,29-30H,2-6,9-16,18-20H2,1H3