(Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-pent-2-enoate

Systemtic Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-pent-2-enoate Openeye Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-pent-2-enoate CAS Name: (Z)-2-(5-hexyl-2-pyrimidinyl)-4-phenyl-2-pentenoate IUPAC Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenylpent-2-enoate Traditional Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-pent-2-enoate Formula: C21H25N2O2- MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C(=CC(C)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)/C(=C/C(C)C2=CC=CC=C2)/C(=O)[O-]

InChI

InChI=1S/C21H26N2O2/c1-3-4-5-7-10-17-14-22-20(23-15-17)19(21(24)25)13-16(2)18-11-8-6-9-12-18/h6,8-9,11-16H,3-5,7,10H2,1-2H3,(H,24,25)/p-1/b19-13-