2-[[1-(3,3-dimethylbutyl)-7-methyl-2-oxidanyl-4-oxidanylidene-1,6-naphthyridin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(3,3-dimethylbutyl)-7-methyl-2-oxidanyl-4-oxidanylidene-1,6-naphthyridin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(3,3-dimethylbutyl)-2-hydroxy-7-methyl-4-oxo-1,6-naphthyridine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(3,3-dimethylbutyl)-2-hydroxy-7-methyl-4-oxo-1,6-naphthyridin-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(3,3-dimethylbutyl)-2-hydroxy-7-methyl-4-oxo-1,6-naphthyridine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(3,3-dimethylbutyl)-2-hydroxy-4-keto-7-methyl-1,6-naphthyridine-3-carbonyl]amino]acetic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C(=C1)N(C(=C(C2=O)C(=O)NCC(=O)O)O)CCC(C)(C)C

Isomeric SMILES

CC1=NC=C2C(=C1)N(C(=C(C2=O)C(=O)NCC(=O)O)O)CCC(C)(C)C

InChI

InChI=1S/C18H23N3O5/c1-10-7-12-11(8-19-10)15(24)14(16(25)20-9-13(22)23)17(26)21(12)6-5-18(2,3)4/h7-8,26H,5-6,9H2,1-4H3,(H,20,25)(H,22,23)