(Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-hex-2-enoate

Systemtic Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-hex-2-enoate Openeye Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-hex-2-enoate CAS Name: (Z)-2-(5-heptyl-2-pyrimidinyl)-4-phenyl-2-hexenoate IUPAC Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenylhex-2-enoate Traditional Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-hex-2-enoate Formula: C23H29N2O2- MolecularWeight: 365.48856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(=CC(CC)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-3-5-6-7-9-12-18-16-24-22(25-17-18)21(23(26)27)15-19(4-2)20-13-10-8-11-14-20/h8,10-11,13-17,19H,3-7,9,12H2,1-2H3,(H,26,27)/p-1/b21-15-