methyl 4-[4-[oxidanyl(pyridin-4-yl)methyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[oxidanyl(pyridin-4-yl)methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[hydroxy(4-pyridyl)methyl]phenyl]butanoate CAS Name: 4-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]butanoate Traditional Name: 4-[4-[hydroxy(4-pyridyl)methyl]phenyl]butyric acid methyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=NC=C2)O

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=NC=C2)O

InChI

InChI=1S/C17H19NO3/c1-21-16(19)4-2-3-13-5-7-14(8-6-13)17(20)15-9-11-18-12-10-15/h5-12,17,20H,2-4H2,1H3