[2-(4-heptylphenyl)pyrimidin-5-yl] (E)-dodec-2-enoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] (E)-dodec-2-enoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] (E)-dodec-2-enoate CAS Name: (E)-2-dodecenoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] (E)-dodec-2-enoate Traditional Name: (E)-dodec-2-enoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCC

Isomeric SMILES

CCCCCCCCC/C=C/C(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCC

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-9-10-11-12-14-16-18-28(32)33-27-23-30-29(31-24-27)26-21-19-25(20-22-26)17-15-13-8-6-4-2/h16,18-24H,3-15,17H2,1-2H3/b18-16+