[2-butyl-2,11-dimethyl-11-(pyridin-3-ylcarbonyloxymethyl)pentadecyl] pyridine-3-carboxylate

Systemtic Name: [2-butyl-2,11-dimethyl-11-(pyridin-3-ylcarbonyloxymethyl)pentadecyl] pyridine-3-carboxylate Openeye Name: [2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-butyl-2,11-dimethyl-11-[[oxo(3-pyridinyl)methoxy]methyl]pentadecyl] ester IUPAC Name: [2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-butyl-2,11-dimethyl-11-(nicotinoyloxymethyl)pentadecyl] ester Formula: C34H52N2O4 MolecularWeight: 552.78768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H52N2O4/c1-5-7-19-33(3,27-39-31(37)29-17-15-23-35-25-29)21-13-11-9-10-12-14-22-34(4,20-8-6-2)28-40-32(38)30-18-16-24-36-26-30/h15-18,23-26H,5-14,19-22,27-28H2,1-4H3