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

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C23H24BrNO6 MolecularWeight: 490.34376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC)Br)OCC

InChI

InChI=1S/C23H24BrNO6/c1-4-28-21-13-17(18(24)14-22(21)29-5-2)15-31-23(26)9-7-16-6-8-19(30-11-10-25)20(12-16)27-3/h6-9,12-14H,4-5,11,15H2,1-3H3/b9-7+