1-[4-bromanyl-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl hexadecanoate

Systemtic Name: 1-[4-bromanyl-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl hexadecanoate Openeye Name: 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl hexadecanoate CAS Name: hexadecanoic acid 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl ester IUPAC Name: 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl hexadecanoate Traditional Name: palmitic acid 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl ester Formula: C26H45BrN2O3 MolecularWeight: 513.5511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)N1CC(=C(C=C1)Br)C(=O)NCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)N1CC(=C(C=C1)Br)C(=O)NCC

InChI

InChI=1S/C26H45BrN2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30)32-22(3)29-20-19-24(27)23(21-29)26(31)28-5-2/h19-20,22H,4-18,21H2,1-3H3,(H,28,31)