[2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] dodec-11-enoate

Systemtic Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] dodec-11-enoate Openeye Name: [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] dodec-11-enoate CAS Name: 11-dodecenoic acid [2-[4-(3-acetyloxybutyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(3-acetyloxybutyl)phenyl]pyrimidin-5-yl] dodec-11-enoate Traditional Name: dodec-11-enoic acid [2-[4-(3-acetoxybutyl)phenyl]pyrimidin-5-yl] ester Formula: C28H38N2O4 MolecularWeight: 466.61232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCCC=C)OC(=O)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCCC=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/h4,16-22H,1,5-15H2,2-3H3