hexadecyl 6-[hexadecoxy(hexadecyl)carbamoyl]pyridine-3-carboxylate

Systemtic Name: hexadecyl 6-[hexadecoxy(hexadecyl)carbamoyl]pyridine-3-carboxylate Openeye Name: hexadecyl 6-[hexadecoxy(hexadecyl)carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[hexadecoxy(hexadecyl)amino]-oxomethyl]-3-pyridinecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 6-[hexadecoxy(hexadecyl)carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[cetyl(cetyloxy)carbamoyl]nicotinic acid cetyl ester Formula: C55H102N2O4 MolecularWeight: 855.40938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(=O)C1=NC=C(C=C1)C(=O)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(=O)C1=NC=C(C=C1)C(=O)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C55H102N2O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-48-57(61-50-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54(58)53-47-46-52(51-56-53)55(59)60-49-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46-47,51H,4-45,48-50H2,1-3H3