(Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-dodec-2-enoate

Systemtic Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-dodec-2-enoate Openeye Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-dodec-2-enoate CAS Name: (Z)-2-(5-heptyl-2-pyrimidinyl)-4-phenyl-2-dodecenoate IUPAC Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyldodec-2-enoate Traditional Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-dodec-2-enoate Formula: C29H41N2O2- MolecularWeight: 449.64804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=C(C1=NC=C(C=N1)CCCCCCC)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(/C=C(/C1=NC=C(C=N1)CCCCCCC)\C(=O)[O-])C2=CC=CC=C2

InChI

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