2-[[1-(3,3-dimethylbutyl)-2-oxidanyl-4-oxidanylidene-1,8-naphthyridin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(3,3-dimethylbutyl)-2-oxidanyl-4-oxidanylidene-1,8-naphthyridin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(3,3-dimethylbutyl)-2-hydroxy-4-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(3,3-dimethylbutyl)-2-hydroxy-4-oxo-1,8-naphthyridin-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(3,3-dimethylbutyl)-2-hydroxy-4-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(3,3-dimethylbutyl)-2-hydroxy-4-keto-1,8-naphthyridine-3-carbonyl]amino]acetic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1C2=C(C=CC=N2)C(=O)C(=C1O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)CCN1C2=C(C=CC=N2)C(=O)C(=C1O)C(=O)NCC(=O)O

InChI

InChI=1S/C17H21N3O5/c1-17(2,3)6-8-20-14-10(5-4-7-18-14)13(23)12(16(20)25)15(24)19-9-11(21)22/h4-5,7,25H,6,8-9H2,1-3H3,(H,19,24)(H,21,22)