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

Systemtic Name: 4-[(2S)-2-methyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-4-isopropyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-methyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-methyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2S)-4-isopropyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-9(2)17-12-8-11(13(18)5-7-15(19)20)4-6-14(12)22-10(3)16(17)21/h4,6,8-10H,5,7H2,1-3H3,(H,19,20)/t10-/m0/s1