(2,2,11,11-tetramethyl-12-pyridin-3-ylcarbonyloxy-dodecyl) pyridine-3-carboxylate

Systemtic Name: (2,2,11,11-tetramethyl-12-pyridin-3-ylcarbonyloxy-dodecyl) pyridine-3-carboxylate Openeye Name: [2,2,11,11-tetramethyl-12-(pyridine-3-carbonyloxy)dodecyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2,2,11,11-tetramethyl-12-[oxo(3-pyridinyl)methoxy]dodecyl] ester IUPAC Name: [2,2,11,11-tetramethyl-12-(pyridine-3-carbonyloxy)dodecyl] pyridine-3-carboxylate Traditional Name: nicotinic acid (2,2,11,11-tetramethyl-12-nicotinoyloxy-dodecyl) ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCCCCC(C)(C)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(CCCCCCCCC(C)(C)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C28H40N2O4/c1-27(2,21-33-25(31)23-13-11-17-29-19-23)15-9-7-5-6-8-10-16-28(3,4)22-34-26(32)24-14-12-18-30-20-24/h11-14,17-20H,5-10,15-16,21-22H2,1-4H3