methyl 5-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]pentanoate

Systemtic Name: methyl 5-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]pentanoate Openeye Name: methyl 5-[4-[hydroxy(3-pyridyl)methyl]phenyl]pentanoate CAS Name: 5-[4-[hydroxy(3-pyridinyl)methyl]phenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]pentanoate Traditional Name: 5-[4-[hydroxy(3-pyridyl)methyl]phenyl]valeric acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=CC=C(C=C1)C(C2=CN=CC=C2)O

Isomeric SMILES

COC(=O)CCCCC1=CC=C(C=C1)C(C2=CN=CC=C2)O

InChI

InChI=1S/C18H21NO3/c1-22-17(20)7-3-2-5-14-8-10-15(11-9-14)18(21)16-6-4-12-19-13-16/h4,6,8-13,18,21H,2-3,5,7H2,1H3