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

Systemtic Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-but-2-enoic acid Openeye Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-but-2-enoic acid CAS Name: (Z)-2-(5-octyl-2-pyrimidinyl)-4-phenyl-2-butenoic acid IUPAC Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenylbut-2-enoic acid Traditional Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-but-2-enoic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C(=CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)/C(=C/CC2=CC=CC=C2)/C(=O)O

InChI

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