[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate

Systemtic Name: [1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate Openeye Name: [2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-(2,6-diethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-diethylanilino)-1-oxopropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO3/c1-5-16-8-7-9-17(6-2)19(16)22-20(23)15(4)25-21(24)18-12-10-14(3)11-13-18/h7-13,15H,5-6H2,1-4H3,(H,22,23)