dimethyl 4-[4-(3-bromanylpropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylate

Systemtic Name: dimethyl 4-[4-(3-bromanylpropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylate Openeye Name: dimethyl 4-[4-(3-bromopropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylate CAS Name: 4-[4-(3-bromopropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-(3-bromopropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylate Traditional Name: 4-[4-(3-bromopropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester Formula: C25H21BrN2O4 MolecularWeight: 493.34924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=C(C=C4)CCCBr)C(=O)OC)C=C1

Isomeric SMILES

COC(=O)C1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=C(C=C4)CCCBr)C(=O)OC)C=C1

InChI

InChI=1S/C25H21BrN2O4/c1-31-24(29)20-12-10-17-9-11-18-19(16-7-5-15(6-8-16)4-3-13-26)14-21(25(30)32-2)28-23(18)22(17)27-20/h5-12,14H,3-4,13H2,1-2H3