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

Systemtic Name: 8-[hexyl(methyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[hexyl(methyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[hexyl(methyl)amino]-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[hexyl(methyl)carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[hexyl(methyl)carbamoyl]-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-3-4-5-6-9-24(2)20(26)14-10-13-7-8-15-18(17(13)22-11-14)23-12-16(19(15)25)21(27)28/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,27,28)