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

Systemtic Name: ethyl (E)-3-[3-bromanyl-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-bromo-5-(3-pyridylmethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-5-(3-pyridinylmethyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-bromo-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-5-(3-pyridylmethyl)phenyl]acrylic acid ethyl ester Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO2/c1-2-21-17(20)6-5-13-8-15(11-16(18)10-13)9-14-4-3-7-19-12-14/h3-8,10-12H,2,9H2,1H3/b6-5+