(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2,3-dimethylphenyl)amino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2,3-dimethylphenyl)amino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2,3-dimethylanilino)benzoate CAS Name: 2-(2,3-dimethylanilino)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2,3-dimethylanilino)benzoate Traditional Name: 2-(2,3-dimethylanilino)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H25NO3/c1-14-9-8-12-17(15(14)2)22-18-11-7-6-10-16(18)20(24)25-13-19(23)21(3,4)5/h6-12,22H,13H2,1-5H3