methyl 7-(2-methylpropoxy)-4-oxidanylidene-9-(phenylcarbamoyl)-1H-1,10-phenanthroline-2-carboxylate

Systemtic Name: methyl 7-(2-methylpropoxy)-4-oxidanylidene-9-(phenylcarbamoyl)-1H-1,10-phenanthroline-2-carboxylate Openeye Name: methyl 7-isobutoxy-4-oxo-9-(phenylcarbamoyl)-1H-1,10-phenanthroline-2-carboxylate CAS Name: 9-[anilino(oxo)methyl]-7-(2-methylpropoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid methyl ester IUPAC Name: methyl 7-(2-methylpropoxy)-4-oxo-9-(phenylcarbamoyl)-1H-1,10-phenanthroline-2-carboxylate Traditional Name: 7-isobutoxy-4-keto-9-(phenylcarbamoyl)-1H-1,10-phenanthroline-2-carboxylic acid methyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=NC2=C1C=CC3=C2NC(=CC3=O)C(=O)OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC(=NC2=C1C=CC3=C2NC(=CC3=O)C(=O)OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O5/c1-14(2)13-33-21-12-18(24(30)26-15-7-5-4-6-8-15)27-23-17(21)10-9-16-20(29)11-19(25(31)32-3)28-22(16)23/h4-12,14H,13H2,1-3H3,(H,26,30)(H,28,29)