(Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid

Systemtic Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid Openeye Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid CAS Name: (Z)-2-(5-nonyl-2-pyrimidinyl)-4-phenyl-2-hexenoic acid IUPAC Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenylhex-2-enoic acid Traditional Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C(=CC(CC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)/C(=C/C(CC)C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C25H34N2O2/c1-3-5-6-7-8-9-11-14-20-18-26-24(27-19-20)23(25(28)29)17-21(4-2)22-15-12-10-13-16-22/h10,12-13,15-19,21H,3-9,11,14H2,1-2H3,(H,28,29)/b23-17-