4-[(2S)-2-methyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2S)-2-methyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-4-isopentyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2S)-4-isoamyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CCC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CCC(C)C

InChI

InChI=1S/C18H23NO5/c1-11(2)8-9-19-14-10-13(15(20)5-7-17(21)22)4-6-16(14)24-12(3)18(19)23/h4,6,10-12H,5,7-9H2,1-3H3,(H,21,22)/t12-/m0/s1