3-bromanyl-N-[7-(1-oxidanylbutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

Systemtic Name: 3-bromanyl-N-[7-(1-oxidanylbutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Openeye Name: 3-bromo-N-[7-(1-hydroxybutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide CAS Name: 3-bromo-N-[7-(1-hydroxybutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide IUPAC Name: 3-bromo-N-[7-(1-hydroxybutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Traditional Name: 3-bromo-N-[7-(1-hydroxybutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)Br)OCCO2)O

Isomeric SMILES

CCCC(C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)Br)OCCO2)O

InChI

InChI=1S/C19H20BrNO4/c1-2-4-16(22)14-10-17-18(25-8-7-24-17)11-15(14)21-19(23)12-5-3-6-13(20)9-12/h3,5-6,9-11,16,22H,2,4,7-8H2,1H3,(H,21,23)