(phenylmethyl) (E)-3-pyridin-4-ylbut-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-pyridin-4-ylbut-2-enoate Openeye Name: benzyl (E)-3-(4-pyridyl)but-2-enoate CAS Name: (E)-3-pyridin-4-yl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-pyridin-4-ylbut-2-enoate Traditional Name: (E)-3-(4-pyridyl)but-2-enoic acid benzyl ester Formula: C16H15NO2 MolecularWeight: 253.2958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC1=CC=CC=C1)C2=CC=NC=C2

Isomeric SMILES

C/C(=C\C(=O)OCC1=CC=CC=C1)/C2=CC=NC=C2

InChI

InChI=1S/C16H15NO2/c1-13(15-7-9-17-10-8-15)11-16(18)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b13-11+