ethyl (E)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-benzoxy-2-bromo-5-methoxy-phenyl)-2-cyano-acrylic acid ethyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1Br)OCC2=CC=CC=C2)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1Br)OCC2=CC=CC=C2)OC)/C#N

InChI

InChI=1S/C20H18BrNO4/c1-3-25-20(23)16(12-22)9-15-10-18(24-2)19(11-17(15)21)26-13-14-7-5-4-6-8-14/h4-11H,3,13H2,1-2H3/b16-9+