2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]butan-1-ol

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]butan-1-ol Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]butan-1-ol CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-1-butanol IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]butan-1-ol Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]butan-1-ol Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CCC(CO)NCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C12H16BrNO3/c1-2-9(6-15)14-5-8-3-11-12(4-10(8)13)17-7-16-11/h3-4,9,14-15H,2,5-7H2,1H3