[2,9-dimethyl-2-propyl-9-(pyridin-3-ylcarbonyloxymethyl)dodecyl] pyridine-3-carboxylate

Systemtic Name: [2,9-dimethyl-2-propyl-9-(pyridin-3-ylcarbonyloxymethyl)dodecyl] pyridine-3-carboxylate Openeye Name: [2,9-dimethyl-2-propyl-9-(pyridine-3-carbonyloxymethyl)dodecyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2,9-dimethyl-9-[[oxo(3-pyridinyl)methoxy]methyl]-2-propyldodecyl] ester IUPAC Name: [2,9-dimethyl-2-propyl-9-(pyridine-3-carbonyloxymethyl)dodecyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2,9-dimethyl-9-(nicotinoyloxymethyl)-2-propyl-dodecyl] ester Formula: C30H44N2O4 MolecularWeight: 496.68136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O4/c1-5-15-29(3,23-35-27(33)25-13-11-19-31-21-25)17-9-7-8-10-18-30(4,16-6-2)24-36-28(34)26-14-12-20-32-22-26/h11-14,19-22H,5-10,15-18,23-24H2,1-4H3