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

Systemtic Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-dec-2-enoic acid Openeye Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-dec-2-enoic acid CAS Name: (Z)-2-(5-nonyl-2-pyrimidinyl)-4-phenyl-2-decenoic acid IUPAC Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyldec-2-enoic acid Traditional Name: (Z)-2-(5-nonylpyrimidin-2-yl)-4-phenyl-dec-2-enoic acid Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-9-10-11-13-17-24-22-30-28(31-23-24)27(29(32)33)21-26(20-14-8-6-4-2)25-18-15-12-16-19-25/h12,15-16,18-19,21-23,26H,3-11,13-14,17,20H2,1-2H3,(H,32,33)/b27-21-