hexadecyl 2-(4-hexadecoxycarbonylpyridin-2-yl)pyridine-4-carboxylate

Systemtic Name: hexadecyl 2-(4-hexadecoxycarbonylpyridin-2-yl)pyridine-4-carboxylate Openeye Name: hexadecyl 2-(4-hexadecoxycarbonyl-2-pyridyl)pyridine-4-carboxylate CAS Name: 2-[4-[hexadecoxy(oxo)methyl]-2-pyridinyl]-4-pyridinecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2-(4-hexadecoxycarbonylpyridin-2-yl)pyridine-4-carboxylate Traditional Name: 2-(4-cetyloxycarbonyl-2-pyridyl)isonicotinic acid cetyl ester Formula: C44H72N2O4 MolecularWeight: 693.05348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H72N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-49-43(47)39-31-33-45-41(37-39)42-38-40(32-34-46-42)44(48)50-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,37-38H,3-30,35-36H2,1-2H3