(5-bromanyl-2-methoxy-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC

InChI

InChI=1S/C20H18BrNO5/c1-24-17-7-5-16(21)12-15(17)13-27-20(23)8-4-14-3-6-18(26-10-9-22)19(11-14)25-2/h3-8,11-12H,10,13H2,1-2H3/b8-4+