9-methoxycarbonyl-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carboxylic acid

Systemtic Name: 9-methoxycarbonyl-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carboxylic acid Openeye Name: 4,7-diisobutoxy-9-methoxycarbonyl-1,10-phenanthroline-2-carboxylic acid CAS Name: 9-methoxycarbonyl-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carboxylic acid IUPAC Name: 9-methoxycarbonyl-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carboxylic acid Traditional Name: 9-carbomethoxy-4,7-diisobutoxy-1,10-phenanthroline-2-carboxylic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=NC2=C1C=CC3=C2N=C(C=C3OCC(C)C)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C)COC1=CC(=NC2=C1C=CC3=C2N=C(C=C3OCC(C)C)C(=O)OC)C(=O)O

InChI

InChI=1S/C23H26N2O6/c1-12(2)10-30-18-8-16(22(26)27)24-20-14(18)6-7-15-19(31-11-13(3)4)9-17(23(28)29-5)25-21(15)20/h6-9,12-13H,10-11H2,1-5H3,(H,26,27)