bis[[6-[(1S)-1-acetyloxyethyl]pyridin-2-yl]methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[[6-[(1S)-1-acetyloxyethyl]pyridin-2-yl]methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[[6-[(1S)-1-acetoxyethyl]-2-pyridyl]methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[[6-[(1S)-1-acetyloxyethyl]-2-pyridinyl]methyl] ester IUPAC Name: bis[[6-[(1S)-1-acetyloxyethyl]pyridin-2-yl]methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[[6-[(1S)-1-acetoxyethyl]-2-pyridyl]methyl] ester Formula: C27H27N3O8 MolecularWeight: 521.51858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=N1)COC(=O)C2=NC(=CC=C2)C(=O)OCC3=NC(=CC=C3)C(C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CC(=N1)COC(=O)C2=NC(=CC=C2)C(=O)OCC3=NC(=CC=C3)[C@H](C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H27N3O8/c1-16(37-18(3)31)22-10-5-8-20(28-22)14-35-26(33)24-12-7-13-25(30-24)27(34)36-15-21-9-6-11-23(29-21)17(2)38-19(4)32/h5-13,16-17H,14-15H2,1-4H3/t16-,17-/m0/s1