[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(2,6-diethylanilino)-2-keto-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)COC(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

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

InChI

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