methyl (E)-3-[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-phenyl]-2-cyano-acrylic acid methyl ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OCCOC2=CC(=CC=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H18BrNO5/c1-24-19-11-14(10-15(13-22)20(23)25-2)6-7-18(19)27-9-8-26-17-5-3-4-16(21)12-17/h3-7,10-12H,8-9H2,1-2H3/b15-10+