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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-dodec-2-enoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-dodec-2-enoate CAS Name: (E)-2-dodecenoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] (E)-dodec-2-enoate Traditional Name: (E)-dodec-2-enoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C30H44N2O2 MolecularWeight: 464.68256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O2/c1-3-5-7-9-11-12-13-15-17-19-29(33)34-28-24-31-30(32-25-28)27-22-20-26(21-23-27)18-16-14-10-8-6-4-2/h17,19-25H,3-16,18H2,1-2H3/b19-17+