[(1R,2R)-2,3-bis(oxidanyl)-1-pyridin-2-yl-propyl] 4-methylbenzoate

Systemtic Name: [(1R,2R)-2,3-bis(oxidanyl)-1-pyridin-2-yl-propyl] 4-methylbenzoate Openeye Name: [(1R,2R)-2,3-dihydroxy-1-(2-pyridyl)propyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(1R,2R)-2,3-dihydroxy-1-(2-pyridinyl)propyl] ester IUPAC Name: [(1R,2R)-2,3-dihydroxy-1-pyridin-2-ylpropyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R,2R)-2,3-dihydroxy-1-(2-pyridyl)propyl] ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=N2)C(CO)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=N2)[C@@H](CO)O

InChI

InChI=1S/C16H17NO4/c1-11-5-7-12(8-6-11)16(20)21-15(14(19)10-18)13-4-2-3-9-17-13/h2-9,14-15,18-19H,10H2,1H3/t14-,15-/m1/s1