[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylbutanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylbutanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

InChI

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