(Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-non-2-enoic acid

Systemtic Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-non-2-enoic acid Openeye Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-non-2-enoic acid CAS Name: (Z)-2-(5-hexyl-2-pyrimidinyl)-4-phenyl-2-nonenoic acid IUPAC Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenylnon-2-enoic acid Traditional Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-non-2-enoic acid Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C(=CC(CCCCC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)/C(=C/C(CCCCC)C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C25H34N2O2/c1-3-5-7-10-13-20-18-26-24(27-19-20)23(25(28)29)17-22(16-9-6-4-2)21-14-11-8-12-15-21/h8,11-12,14-15,17-19,22H,3-7,9-10,13,16H2,1-2H3,(H,28,29)/b23-17-