pentyl 3-oxidanyl-3-pyridin-4-yl-butanoate

Systemtic Name: pentyl 3-oxidanyl-3-pyridin-4-yl-butanoate Openeye Name: pentyl 3-hydroxy-3-(4-pyridyl)butanoate CAS Name: 3-hydroxy-3-pyridin-4-ylbutanoic acid pentyl ester IUPAC Name: pentyl 3-hydroxy-3-pyridin-4-ylbutanoate Traditional Name: 3-hydroxy-3-(4-pyridyl)butyric acid amyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC(C)(C1=CC=NC=C1)O

Isomeric SMILES

CCCCCOC(=O)CC(C)(C1=CC=NC=C1)O

InChI

InChI=1S/C14H21NO3/c1-3-4-5-10-18-13(16)11-14(2,17)12-6-8-15-9-7-12/h6-9,17H,3-5,10-11H2,1-2H3