8-[methyl(phenethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-[methyl(phenethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[methyl(phenethyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[methyl(phenethyl)amino]-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[methyl(phenethyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 4-keto-8-[methyl(phenethyl)carbamoyl]-3H-1,10-phenanthroline-3-carboxylic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

InChI

InChI=1S/C23H19N3O4/c1-26(10-9-14-5-3-2-4-6-14)22(28)16-11-15-7-8-17-20(19(15)24-12-16)25-13-18(21(17)27)23(29)30/h2-8,11-13,18H,9-10H2,1H3,(H,29,30)