2-[[3-tert-butyl-5-[(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-tert-butyl-5-[(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-tert-butyl-5-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]amino]acetic acid CAS Name: 2-[[[3-tert-butyl-5-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-tert-butyl-5-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[3-tert-butyl-5-[(6-formyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoyl]amino]acetic acid Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CN2C(=O)COC3=C2C=C(C=C3)C=O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CN2C(=O)COC3=C2C=C(C=C3)C=O)C(=O)NCC(=O)O

InChI

InChI=1S/C23H24N2O6/c1-23(2,3)17-7-15(6-16(9-17)22(30)24-10-21(28)29)11-25-18-8-14(12-26)4-5-19(18)31-13-20(25)27/h4-9,12H,10-11,13H2,1-3H3,(H,24,30)(H,28,29)