(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylamide Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H18BrNO4/c1-23-16-6-4-14(20)11-13(16)3-8-19(22)21-15-5-7-17-18(12-15)25-10-2-9-24-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)/b8-3+