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

Systemtic Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dec-6-enoate Openeye Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dec-6-enoate CAS Name: (E)-6-decenoic acid [2-[4-(5-propoxypentyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-dec-6-enoate Traditional Name: (E)-dec-6-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:

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

Isomeric SMILES

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

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/h6-7,16-19,22-23H,3-5,8-15,20-21H2,1-2H3/b7-6+