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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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