[6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] (E)-non-6-enoate

Systemtic Name: [6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] (E)-non-6-enoate Openeye Name: [6-[4-(5-propoxypentyl)phenyl]-3-pyridyl] (E)-non-6-enoate CAS Name: (E)-6-nonenoic acid [6-[4-(5-propoxypentyl)phenyl]-3-pyridinyl] ester IUPAC Name: [6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] (E)-non-6-enoate Traditional Name: (E)-non-6-enoic acid [6-[4-(5-propoxypentyl)phenyl]-3-pyridyl] ester Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO3/c1-3-5-6-7-8-11-14-28(30)32-26-19-20-27(29-23-26)25-17-15-24(16-18-25)13-10-9-12-22-31-21-4-2/h5-6,15-20,23H,3-4,7-14,21-22H2,1-2H3/b6-5+