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

Systemtic Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-hept-2-enoic acid Openeye Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-hept-2-enoic acid CAS Name: (Z)-2-(5-hexyl-2-pyrimidinyl)-4-phenyl-2-heptenoic acid IUPAC Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenylhept-2-enoic acid Traditional Name: (Z)-2-(5-hexylpyrimidin-2-yl)-4-phenyl-hept-2-enoic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-3-5-6-8-12-18-16-24-22(25-17-18)21(23(26)27)15-20(11-4-2)19-13-9-7-10-14-19/h7,9-10,13-17,20H,3-6,8,11-12H2,1-2H3,(H,26,27)/b21-15-