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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-keto-2-(phenethylamino)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)CCC(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO4/c1-16-8-9-17(2)19(14-16)20(24)10-11-22(26)27-15-21(25)23-13-12-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)