[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

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