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

Systemtic Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-3-enoate Openeye Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-3-enoate CAS Name: (E)-3-dodecenoic acid [2-[4-[3-(1-oxopropoxy)butyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-3-enoate Traditional Name: (E)-dodec-3-enoic acid [2-[4-(3-propionyloxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C29H40N2O4 MolecularWeight: 480.6389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-4-6-7-8-9-10-11-12-13-14-28(33)35-26-21-30-29(31-22-26)25-19-17-24(18-20-25)16-15-23(3)34-27(32)5-2/h12-13,17-23H,4-11,14-16H2,1-3H3/b13-12+