(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H16BrNO4/c22-17-12-19-18(25-9-10-26-19)11-16(17)13-27-20(24)7-6-15-4-1-3-14-5-2-8-23-21(14)15/h1-8,11-12H,9-10,13H2/b7-6+