bromomethyl hexanoate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate

Systemtic Name: bromomethyl hexanoate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate Openeye Name: bromomethyl hexanoate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxy-propanoate CAS Name: hexanoic acid bromomethyl ester; 3-(1-oxopropoxy)-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: bromomethyl hexanoate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-propanoyloxypropanoate Traditional Name: hexanoic acid bromomethyl ester; 2-phenyl-3-propionyloxy-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C27H40BrNO6 MolecularWeight: 554.5136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCBr.CCC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C

Isomeric SMILES

CCCCCC(=O)OCBr.CCC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C

InChI

InChI=1S/C20H27NO4.C7H13BrO2/c1-3-19(22)24-13-18(14-7-5-4-6-8-14)20(23)25-17-11-15-9-10-16(12-17)21(15)2;1-2-3-4-5-7(9)10-6-8/h4-8,15-18H,3,9-13H2,1-2H3;2-6H2,1H3