[6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] (E)-oct-2-enoate

Systemtic Name: [6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] (E)-oct-2-enoate Openeye Name: [6-[4-(5-propoxypentyl)phenyl]-3-pyridyl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [6-[4-(5-propoxypentyl)phenyl]-3-pyridinyl] ester IUPAC Name: [6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [6-[4-(5-propoxypentyl)phenyl]-3-pyridyl] ester Formula: C27H37NO3 MolecularWeight: 423.58758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO3/c1-3-5-6-7-10-13-27(29)31-25-18-19-26(28-22-25)24-16-14-23(15-17-24)12-9-8-11-21-30-20-4-2/h10,13-19,22H,3-9,11-12,20-21H2,1-2H3/b13-10+