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

Systemtic Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-non-5-enoate Openeye Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-non-5-enoate CAS Name: (E)-5-nonenoic acid [2-[4-(5-propoxypentyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] (E)-non-5-enoate Traditional Name: (E)-non-5-enoic acid [2-[4-(5-propoxypentyl)phenyl]pyrimidin-5-yl] ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3/c1-3-5-6-7-8-11-14-26(30)32-25-21-28-27(29-22-25)24-17-15-23(16-18-24)13-10-9-12-20-31-19-4-2/h6-7,15-18,21-22H,3-5,8-14,19-20H2,1-2H3/b7-6+