(pyridin-3-ylcarbonylamino)methyl octanoate bromide

Systemtic Name: (pyridin-3-ylcarbonylamino)methyl octanoate bromide Openeye Name: (pyridine-3-carbonylamino)methyl octanoate bromide CAS Name: octanoic acid [[oxo(3-pyridinyl)methyl]amino]methyl ester bromide IUPAC Name: (pyridine-3-carbonylamino)methyl octanoate bromide Traditional Name: caprylic acid nicotinamidomethyl ester bromide Formula: C15H22BrN2O3- MolecularWeight: 358.25078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCNC(=O)C1=CN=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCC(=O)OCNC(=O)C1=CN=CC=C1.[Br-]

InChI

InChI=1S/C15H22N2O3.BrH/c1-2-3-4-5-6-9-14(18)20-12-17-15(19)13-8-7-10-16-11-13;/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,19);1H/p-1