2-[[1-(4-azanylbutyl)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(4-azanylbutyl)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(4-aminobutyl)-2-hydroxy-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(4-aminobutyl)-2-hydroxy-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(4-aminobutyl)-2-hydroxy-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-aminobutyl)-2-hydroxy-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(N2CCCCN)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(N2CCCCN)O)C(=O)NCC(=O)O

InChI

InChI=1S/C16H19N3O5/c17-7-3-4-8-19-11-6-2-1-5-10(11)14(22)13(16(19)24)15(23)18-9-12(20)21/h1-2,5-6,24H,3-4,7-9,17H2,(H,18,23)(H,20,21)