6-[4-[2,6-bis(azanyl)hexanoylamino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[2,6-bis(azanyl)hexanoylamino]phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-(2,6-diaminohexanoylamino)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-[(2,6-diamino-1-oxohexyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-(2,6-diaminohexanoylamino)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[4-(2,6-diaminohexanoylamino)phenyl]-2-keto-1H-pyridine-3-carboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C(=O)N2)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C(=O)N2)C(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C18H22N4O4/c19-10-2-1-3-14(20)17(24)21-12-6-4-11(5-7-12)15-9-8-13(18(25)26)16(23)22-15/h4-9,14H,1-3,10,19-20H2,(H,21,24)(H,22,23)(H,25,26)