4-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2S)-4-isobutyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-10(2)9-18-13-8-12(14(19)5-7-16(20)21)4-6-15(13)23-11(3)17(18)22/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,20,21)/p-1/t11-/m0/s1