[2-butyl-2,9-dimethyl-9-(pyridin-3-ylcarbonyloxymethyl)tridecyl] pyridine-3-carboxylate

Systemtic Name: [2-butyl-2,9-dimethyl-9-(pyridin-3-ylcarbonyloxymethyl)tridecyl] pyridine-3-carboxylate Openeye Name: [2-butyl-2,9-dimethyl-9-(pyridine-3-carbonyloxymethyl)tridecyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-butyl-2,9-dimethyl-9-[[oxo(3-pyridinyl)methoxy]methyl]tridecyl] ester IUPAC Name: [2-butyl-2,9-dimethyl-9-(pyridine-3-carbonyloxymethyl)tridecyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-butyl-2,9-dimethyl-9-(nicotinoyloxymethyl)tridecyl] ester Formula: C32H48N2O4 MolecularWeight: 524.73452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48N2O4/c1-5-7-17-31(3,25-37-29(35)27-15-13-21-33-23-27)19-11-9-10-12-20-32(4,18-8-6-2)26-38-30(36)28-16-14-22-34-24-28/h13-16,21-24H,5-12,17-20,25-26H2,1-4H3