3-[3-oxidanylidene-2-propan-2-yl-6,8-bis(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[3-oxidanylidene-2-propan-2-yl-6,8-bis(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[2-isopropyl-3-oxo-6,8-bis(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[3-oxo-2-propan-2-yl-6,8-bis(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[3-oxo-2-propan-2-yl-6,8-bis(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[2-isopropyl-3-keto-6,8-bis(trifluoromethyl)-1,4-benzoxazin-4-yl]propionic acid Formula: C16H15F6NO4 MolecularWeight: 399.285019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F6NO4/c1-7(2)12-14(26)23(4-3-11(24)25)10-6-8(15(17,18)19)5-9(13(10)27-12)16(20,21)22/h5-7,12H,3-4H2,1-2H3,(H,24,25)