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

Systemtic Name: 1-[4-bromanyl-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl octanoate Openeye Name: 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl octanoate CAS Name: octanoic acid 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl ester IUPAC Name: 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl octanoate Traditional Name: caprylic acid 1-[4-bromo-3-(ethylcarbamoyl)-2H-pyridin-1-yl]ethyl ester Formula: C18H29BrN2O3 MolecularWeight: 401.33846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O3/c1-4-6-7-8-9-10-17(22)24-14(3)21-12-11-16(19)15(13-21)18(23)20-5-2/h11-12,14H,4-10,13H2,1-3H3,(H,20,23)