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

Systemtic Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dodec-6-enoate Openeye Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dodec-6-enoate CAS Name: (E)-6-dodecenoic acid [2-[4-(5-propoxypentyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dodec-6-enoate Traditional Name: (E)-dodec-6-enoic acid [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] ester Formula: C30H44N2O3 MolecularWeight: 480.68196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C/CCCCC(=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/h8-9,18-21,24-25H,3-7,10-17,22-23H2,1-2H3/b9-8+