(Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-pent-2-enoic acid

Systemtic Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-pent-2-enoic acid Openeye Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-pent-2-enoic acid CAS Name: (Z)-2-(5-heptyl-2-pyrimidinyl)-4-phenyl-2-pentenoic acid IUPAC Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenylpent-2-enoic acid Traditional Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-pent-2-enoic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-4-5-6-8-11-18-15-23-21(24-16-18)20(22(25)26)14-17(2)19-12-9-7-10-13-19/h7,9-10,12-17H,3-6,8,11H2,1-2H3,(H,25,26)/b20-14-