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

Systemtic Name: [6-[4-(3-propanoyloxybutyl)phenyl]pyridin-3-yl] (E)-non-5-enoate Openeye Name: [6-[4-(3-propanoyloxybutyl)phenyl]-3-pyridyl] (E)-non-5-enoate CAS Name: (E)-5-nonenoic acid [6-[4-[3-(1-oxopropoxy)butyl]phenyl]-3-pyridinyl] ester IUPAC Name: [6-[4-(3-propanoyloxybutyl)phenyl]pyridin-3-yl] (E)-non-5-enoate Traditional Name: (E)-non-5-enoic acid [6-[4-(3-propionyloxybutyl)phenyl]-3-pyridyl] ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCCC(=O)OC1=CN=C(C=C1)C2=CC=C(C=C2)CCC(C)OC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO4/c1-4-6-7-8-9-10-11-27(30)32-24-18-19-25(28-20-24)23-16-14-22(15-17-23)13-12-21(3)31-26(29)5-2/h7-8,14-21H,4-6,9-13H2,1-3H3/b8-7+