[2-ethyl-2,9-dimethyl-9-(pyridin-3-ylcarbonyloxymethyl)undecyl] pyridine-3-carboxylate

Systemtic Name: [2-ethyl-2,9-dimethyl-9-(pyridin-3-ylcarbonyloxymethyl)undecyl] pyridine-3-carboxylate Openeye Name: [2-ethyl-2,9-dimethyl-9-(pyridine-3-carbonyloxymethyl)undecyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-ethyl-2,9-dimethyl-9-[[oxo(3-pyridinyl)methoxy]methyl]undecyl] ester IUPAC Name: [2-ethyl-2,9-dimethyl-9-(pyridine-3-carbonyloxymethyl)undecyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-ethyl-2,9-dimethyl-9-(nicotinoyloxymethyl)undecyl] ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCCCCCC(C)(CC)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C)(CCCCCCC(C)(CC)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2

InChI

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