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

Systemtic Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-pent-2-enoic acid Openeye Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-pent-2-enoic acid CAS Name: (Z)-2-(5-octyl-2-pyrimidinyl)-4-phenyl-2-pentenoic acid IUPAC Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenylpent-2-enoic acid Traditional Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-pent-2-enoic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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