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

Systemtic Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-oct-6-enoate Openeye Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-oct-6-enoate CAS Name: (E)-6-octenoic acid [2-[4-(5-propoxypentyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-oct-6-enoate Traditional Name: (E)-oct-6-enoic acid [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3/c1-3-5-6-7-10-13-25(29)31-24-20-27-26(28-21-24)23-16-14-22(15-17-23)12-9-8-11-19-30-18-4-2/h3,5,14-17,20-21H,4,6-13,18-19H2,1-2H3/b5-3+