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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[[(2-methylphenyl)amino]methyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(2-methylanilino)methyl]benzoate CAS Name: 4-[(2-methylanilino)methyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(2-methylanilino)methyl]benzoate Traditional Name: 4-(o-toluidinomethyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NCC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO3/c1-15-7-5-6-8-18(15)22-13-16-9-11-17(12-10-16)20(24)25-14-19(23)21(2,3)4/h5-12,22H,13-14H2,1-4H3