3-[[3-(4-butoxyphenoxy)-2-oxidanyl-propyl]amino]-1-pyridin-3-yl-butan-1-ol

Systemtic Name: 3-[[3-(4-butoxyphenoxy)-2-oxidanyl-propyl]amino]-1-pyridin-3-yl-butan-1-ol Openeye Name: 3-[[3-(4-butoxyphenoxy)-2-hydroxy-propyl]amino]-1-(3-pyridyl)butan-1-ol CAS Name: 3-[[3-(4-butoxyphenoxy)-2-hydroxypropyl]amino]-1-(3-pyridinyl)-1-butanol IUPAC Name: 3-[[3-(4-butoxyphenoxy)-2-hydroxypropyl]amino]-1-pyridin-3-ylbutan-1-ol Traditional Name: 3-[[3-(4-butoxyphenoxy)-2-hydroxy-propyl]amino]-1-(3-pyridyl)butan-1-ol Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(CNC(C)CC(C2=CN=CC=C2)O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(CNC(C)CC(C2=CN=CC=C2)O)O

InChI

InChI=1S/C22H32N2O4/c1-3-4-12-27-20-7-9-21(10-8-20)28-16-19(25)15-24-17(2)13-22(26)18-6-5-11-23-14-18/h5-11,14,17,19,22,24-26H,3-4,12-13,15-16H2,1-2H3