[2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-2-enoate

Systemtic Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-2-enoate Openeye Name: [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-2-enoate CAS Name: (E)-2-dodecenoic acid [2-[4-(3-acetyloxybutyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-2-enoate Traditional Name: (E)-dodec-2-enoic acid [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O4/c1-4-5-6-7-8-9-10-11-12-13-27(32)34-26-20-29-28(30-21-26)25-18-16-24(17-19-25)15-14-22(2)33-23(3)31/h12-13,16-22H,4-11,14-15H2,1-3H3/b13-12+