2-[[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]amino]butan-1-ol

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]amino]butan-1-ol Openeye Name: 2-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]amino]butan-1-ol CAS Name: 2-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]amino]-1-butanol IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]amino]butan-1-ol Traditional Name: 2-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]amino]butan-1-ol Formula: C14H21NO5 MolecularWeight: 283.32024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC(COC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

CCC(CO)NCC(COC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C14H21NO5/c1-2-10(7-16)15-6-11(17)8-18-12-3-4-13-14(5-12)20-9-19-13/h3-5,10-11,15-17H,2,6-9H2,1H3