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

Systemtic Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-dec-2-enoic acid Openeye Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-dec-2-enoic acid CAS Name: (Z)-2-(5-heptyl-2-pyrimidinyl)-4-phenyl-2-decenoic acid IUPAC Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyldec-2-enoic acid Traditional Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-dec-2-enoic acid Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(=CC(CCCCCC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)/C(=C/C(CCCCCC)C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-9-11-15-22-20-28-26(29-21-22)25(27(30)31)19-24(18-12-8-6-4-2)23-16-13-10-14-17-23/h10,13-14,16-17,19-21,24H,3-9,11-12,15,18H2,1-2H3,(H,30,31)/b25-19-