1-[4-(butylamino)-3-[tris(bromanyl)methyl]pyridin-2-yl]oxypropan-2-yl 3-methylbutanoate

Systemtic Name: 1-[4-(butylamino)-3-[tris(bromanyl)methyl]pyridin-2-yl]oxypropan-2-yl 3-methylbutanoate Openeye Name: [2-[[4-(butylamino)-3-(tribromomethyl)-2-pyridyl]oxy]-1-methyl-ethyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid 1-[[4-(butylamino)-3-(tribromomethyl)-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[4-(butylamino)-3-(tribromomethyl)pyridin-2-yl]oxypropan-2-yl 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-[[4-(butylamino)-3-(tribromomethyl)-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C18H27Br3N2O3 MolecularWeight: 559.13058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)CC(C)C)C(Br)(Br)Br

Isomeric SMILES

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)CC(C)C)C(Br)(Br)Br

InChI

InChI=1S/C18H27Br3N2O3/c1-5-6-8-22-14-7-9-23-17(16(14)18(19,20)21)25-11-13(4)26-15(24)10-12(2)3/h7,9,12-13H,5-6,8,10-11H2,1-4H3,(H,22,23)