3-tert-butyl-5-[(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[(6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 3-tert-butyl-5-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 3-tert-butyl-5-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid IUPAC Name: 3-tert-butyl-5-[(6-formyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 3-tert-butyl-5-[(6-formyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-21(2,3)16-7-14(6-15(9-16)20(25)26)10-22-17-8-13(11-23)4-5-18(17)27-12-19(22)24/h4-9,11H,10,12H2,1-3H3,(H,25,26)