3-[(2R)-2-[(2S)-butan-2-yl]-6,8-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-2-[(2S)-butan-2-yl]-6,8-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-6,8-dimethyl-2-[(1S)-1-methylpropyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-2-[(2S)-butan-2-yl]-6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-2-[(2S)-butan-2-yl]-6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-3-keto-6,8-dimethyl-2-[(1S)-1-methylpropyl]-1,4-benzoxazin-4-yl]propionic acid Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=CC(=CC(=C2O1)C)C)CCC(=O)O

Isomeric SMILES

CC[C@H](C)[C@@H]1C(=O)N(C2=CC(=CC(=C2O1)C)C)CCC(=O)O

InChI

InChI=1S/C17H23NO4/c1-5-11(3)16-17(21)18(7-6-14(19)20)13-9-10(2)8-12(4)15(13)22-16/h8-9,11,16H,5-7H2,1-4H3,(H,19,20)/t11-,16+/m0/s1