[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-(2,6-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,6-dimethylanilino)-4-oxobutanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-(2,6-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,6-dimethylanilino)-4-keto-butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H25NO4/c1-14-8-9-15(2)18(12-14)19(24)13-27-21(26)11-10-20(25)23-22-16(3)6-5-7-17(22)4/h5-9,12H,10-11,13H2,1-4H3,(H,23,25)