1-[5-[octanoyloxy(pyridin-3-yl)methyl]furan-2-yl]hex-5-enyl octanoate

Systemtic Name: 1-[5-[octanoyloxy(pyridin-3-yl)methyl]furan-2-yl]hex-5-enyl octanoate Openeye Name: 1-[5-[octanoyloxy(3-pyridyl)methyl]-2-furyl]hex-5-enyl octanoate CAS Name: octanoic acid 1-[5-[1-oxooctoxy(3-pyridinyl)methyl]-2-furanyl]hex-5-enyl ester IUPAC Name: 1-[5-[octanoyloxy(pyridin-3-yl)methyl]furan-2-yl]hex-5-enyl octanoate Traditional Name: caprylic acid 1-[5-[caprylyloxy(3-pyridyl)methyl]-2-furyl]hex-5-enyl ester Formula: C32H47NO5 MolecularWeight: 525.71928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CCCC=C)C1=CC=C(O1)C(C2=CN=CC=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC(CCCC=C)C1=CC=C(O1)C(C2=CN=CC=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C32H47NO5/c1-4-7-10-12-15-20-30(34)37-27(19-14-9-6-3)28-22-23-29(36-28)32(26-18-17-24-33-25-26)38-31(35)21-16-13-11-8-5-2/h6,17-18,22-25,27,32H,3-5,7-16,19-21H2,1-2H3