(3,3-dimethyl-2-oxidanylidene-butyl) 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO4/c1-20(2,3)17(22)12-24-19(23)14-9-10-16-15(11-14)18(25-21-16)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3