ethyl (E)-3-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-bromo-5-methoxy-4-(2-pyridinylmethoxy)phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]-2-cyano-acrylic acid ethyl ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=N2)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C(=C1)Br)OCC2=CC=CC=N2)OC)/C#N

InChI

InChI=1S/C19H17BrN2O4/c1-3-25-19(23)14(11-21)8-13-9-16(20)18(17(10-13)24-2)26-12-15-6-4-5-7-22-15/h4-10H,3,12H2,1-2H3/b14-8+