(5-heptylpyrimidin-2-yl) (E)-4-phenylbut-2-enoate

Systemtic Name: (5-heptylpyrimidin-2-yl) (E)-4-phenylbut-2-enoate Openeye Name: (5-heptylpyrimidin-2-yl) (E)-4-phenylbut-2-enoate CAS Name: (E)-4-phenyl-2-butenoic acid (5-heptyl-2-pyrimidinyl) ester IUPAC Name: (5-heptylpyrimidin-2-yl) (E)-4-phenylbut-2-enoate Traditional Name: (E)-4-phenylbut-2-enoic acid (5-heptylpyrimidin-2-yl) ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)OC(=O)C=CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)OC(=O)/C=C/CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-2-3-4-5-7-13-19-16-22-21(23-17-19)25-20(24)15-10-14-18-11-8-6-9-12-18/h6,8-12,15-17H,2-5,7,13-14H2,1H3/b15-10+