tert-butyl 2-[3-(1-oxidanyl-3-pyridin-3-yl-propyl)phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-(1-oxidanyl-3-pyridin-3-yl-propyl)phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[1-hydroxy-3-(3-pyridyl)propyl]phenoxy]acetate CAS Name: 2-[3-[1-hydroxy-3-(3-pyridinyl)propyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(1-hydroxy-3-pyridin-3-ylpropyl)phenoxy]acetate Traditional Name: 2-[3-[1-hydroxy-3-(3-pyridyl)propyl]phenoxy]acetic acid tert-butyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=CC(=C1)C(CCC2=CN=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)C(CCC2=CN=CC=C2)O

InChI

InChI=1S/C20H25NO4/c1-20(2,3)25-19(23)14-24-17-8-4-7-16(12-17)18(22)10-9-15-6-5-11-21-13-15/h4-8,11-13,18,22H,9-10,14H2,1-3H3