dimethyl 5-(6-bromanylhexanoylamino)-1,10-phenanthroline-2,9-dicarboxylate

Systemtic Name: dimethyl 5-(6-bromanylhexanoylamino)-1,10-phenanthroline-2,9-dicarboxylate Openeye Name: dimethyl 5-(6-bromohexanoylamino)-1,10-phenanthroline-2,9-dicarboxylate CAS Name: 5-[(6-bromo-1-oxohexyl)amino]-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(6-bromohexanoylamino)-1,10-phenanthroline-2,9-dicarboxylate Traditional Name: 5-(6-bromohexanoylamino)-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C3C(=C(C=C2C=C1)NC(=O)CCCCCBr)C=CC(=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=NC2=C3C(=C(C=C2C=C1)NC(=O)CCCCCBr)C=CC(=N3)C(=O)OC

InChI

InChI=1S/C22H22BrN3O5/c1-30-21(28)15-9-7-13-12-17(24-18(27)6-4-3-5-11-23)14-8-10-16(22(29)31-2)26-20(14)19(13)25-15/h7-10,12H,3-6,11H2,1-2H3,(H,24,27)