[2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-6-enoate

Systemtic Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-6-enoate Openeye Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-6-enoate CAS Name: (E)-6-dodecenoic acid [2-[4-[3-(1-oxopropoxy)butyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-dodec-6-enoate Traditional Name: (E)-dodec-6-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:

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

Isomeric SMILES

CCCCC/C=C/CCCCC(=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/h9-10,17-23H,4-8,11-16H2,1-3H3/b10-9+