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

Systemtic Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-oct-2-enoic acid Openeye Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-oct-2-enoic acid CAS Name: (Z)-2-(5-octyl-2-pyrimidinyl)-4-phenyl-2-octenoic acid IUPAC Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyloct-2-enoic acid Traditional Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-oct-2-enoic acid Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-3-5-7-8-9-11-14-21-19-27-25(28-20-21)24(26(29)30)18-23(15-6-4-2)22-16-12-10-13-17-22/h10,12-13,16-20,23H,3-9,11,14-15H2,1-2H3,(H,29,30)/b24-18-