(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(3-methylbenzoyl)amino]benzoate CAS Name: 4-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(3-methylbenzoyl)amino]benzoate Traditional Name: 4-(m-toluoylamino)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H23NO4/c1-14-6-5-7-16(12-14)19(24)22-17-10-8-15(9-11-17)20(25)26-13-18(23)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)