(Z)-2-(5-pentylpyrimidin-2-yl)-4-phenyl-hept-2-enoate

Systemtic Name: (Z)-2-(5-pentylpyrimidin-2-yl)-4-phenyl-hept-2-enoate Openeye Name: (Z)-2-(5-pentylpyrimidin-2-yl)-4-phenyl-hept-2-enoate CAS Name: (Z)-2-(5-pentyl-2-pyrimidinyl)-4-phenyl-2-heptenoate IUPAC Name: (Z)-2-(5-pentylpyrimidin-2-yl)-4-phenylhept-2-enoate Traditional Name: (Z)-2-(5-amylpyrimidin-2-yl)-4-phenyl-hept-2-enoate Formula: C22H27N2O2- MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C(=CC(CCC)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCC1=CN=C(N=C1)/C(=C/C(CCC)C2=CC=CC=C2)/C(=O)[O-]

InChI

InChI=1S/C22H28N2O2/c1-3-5-7-11-17-15-23-21(24-16-17)20(22(25)26)14-19(10-4-2)18-12-8-6-9-13-18/h6,8-9,12-16,19H,3-5,7,10-11H2,1-2H3,(H,25,26)/p-1/b20-14-