(5-hexylpyrimidin-2-yl) (E)-4-phenylpent-2-enoate

Systemtic Name: (5-hexylpyrimidin-2-yl) (E)-4-phenylpent-2-enoate Openeye Name: (5-hexylpyrimidin-2-yl) (E)-4-phenylpent-2-enoate CAS Name: (E)-4-phenyl-2-pentenoic acid (5-hexyl-2-pyrimidinyl) ester IUPAC Name: (5-hexylpyrimidin-2-yl) (E)-4-phenylpent-2-enoate Traditional Name: (E)-4-phenylpent-2-enoic acid (5-hexylpyrimidin-2-yl) ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)OC(=O)C=CC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)OC(=O)/C=C/C(C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-3-4-5-7-10-18-15-22-21(23-16-18)25-20(24)14-13-17(2)19-11-8-6-9-12-19/h6,8-9,11-17H,3-5,7,10H2,1-2H3/b14-13+