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

Systemtic Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dodec-5-enoate Openeye Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dodec-5-enoate CAS Name: (E)-5-dodecenoic acid [2-[4-(5-propoxypentyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dodec-5-enoate Traditional Name: (E)-dodec-5-enoic acid [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] ester Formula: C30H44N2O3 MolecularWeight: 480.68196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCOCCC

Isomeric SMILES

CCCCCC/C=C/CCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCOCCC

InChI

InChI=1S/C30H44N2O3/c1-3-5-6-7-8-9-10-11-14-17-29(33)35-28-24-31-30(32-25-28)27-20-18-26(19-21-27)16-13-12-15-23-34-22-4-2/h9-10,18-21,24-25H,3-8,11-17,22-23H2,1-2H3/b10-9+