ethyl 8-[butyl(ethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylate

Systemtic Name: ethyl 8-[butyl(ethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylate Openeye Name: ethyl 8-[butyl(ethyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylate CAS Name: 8-[[butyl(ethyl)amino]-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[butyl(ethyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylate Traditional Name: 8-[butyl(ethyl)carbamoyl]-4-keto-3H-1,10-phenanthroline-3-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)OCC

Isomeric SMILES

CCCCN(CC)C(=O)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)OCC

InChI

InChI=1S/C22H25N3O4/c1-4-7-10-25(5-2)21(27)15-11-14-8-9-16-19(18(14)23-12-15)24-13-17(20(16)26)22(28)29-6-3/h8-9,11-13,17H,4-7,10H2,1-3H3