ethyl (E)-3-[3-[(E)-2-cyanoethenyl]-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[(E)-2-cyanoethenyl]-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(E)-2-cyanovinyl]-5-(3-pyridylmethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(E)-2-cyanoethenyl]-5-(3-pyridinylmethyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(E)-2-cyanoethenyl]-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(E)-2-cyanovinyl]-5-(3-pyridylmethyl)phenyl]acrylic acid ethyl ester Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)C=CC#N)CC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)/C=C/C#N)CC2=CN=CC=C2

InChI

InChI=1S/C20H18N2O2/c1-2-24-20(23)8-7-17-11-16(5-3-9-21)12-19(13-17)14-18-6-4-10-22-15-18/h3-8,10-13,15H,2,14H2,1H3/b5-3+,8-7+