[2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] dec-9-enoate

Systemtic Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] dec-9-enoate Openeye Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] dec-9-enoate CAS Name: 9-decenoic acid [2-[4-(5-propoxypentyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] dec-9-enoate Traditional Name: dec-9-enoic acid [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCC=C

Isomeric SMILES

CCCOCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCC=C

InChI

InChI=1S/C28H40N2O3/c1-3-5-6-7-8-9-12-15-27(31)33-26-22-29-28(30-23-26)25-18-16-24(17-19-25)14-11-10-13-21-32-20-4-2/h3,16-19,22-23H,1,4-15,20-21H2,2H3