[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-pyridin-2-yl-methyl] 4-methylbenzoate

Systemtic Name: [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-pyridin-2-yl-methyl] 4-methylbenzoate Openeye Name: [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-pyridyl)methyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-pyridinyl)methyl] ester IUPAC Name: [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-pyridin-2-ylmethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-pyridyl)methyl] ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C2COC(O2)(C)C)C3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H]([C@H]2COC(O2)(C)C)C3=CC=CC=N3

InChI

InChI=1S/C19H21NO4/c1-13-7-9-14(10-8-13)18(21)23-17(15-6-4-5-11-20-15)16-12-22-19(2,3)24-16/h4-11,16-17H,12H2,1-3H3/t16-,17-/m1/s1