2,2-bis(pyridin-3-ylcarbonyloxymethyl)octyl pyridine-3-carboxylate

Systemtic Name: 2,2-bis(pyridin-3-ylcarbonyloxymethyl)octyl pyridine-3-carboxylate Openeye Name: 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2,2-bis[[oxo(3-pyridinyl)methoxy]methyl]octyl ester IUPAC Name: 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2,2-bis(nicotinoyloxymethyl)octyl ester Formula: C28H31N3O6 MolecularWeight: 505.56224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3