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

Systemtic Name: 8-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-1H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[benzyl(methyl)carbamoyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[benzyl(methyl)carbamoyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[benzyl(methyl)carbamoyl]-4-keto-1H-1,10-phenanthroline-3-carboxylic acid Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=CC4=C3NC=C(C4=O)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=CC4=C3NC=C(C4=O)C(=O)O

InChI

InChI=1S/C22H17N3O4/c1-25(12-13-5-3-2-4-6-13)21(27)15-9-14-7-8-16-19(18(14)23-10-15)24-11-17(20(16)26)22(28)29/h2-11H,12H2,1H3,(H,24,26)(H,28,29)