[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methanoylphenoxy)ethanoate

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methanoylphenoxy)ethanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(4-formylphenoxy)acetate CAS Name: 2-(4-formylphenoxy)acetic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate Traditional Name: 2-(4-formylphenoxy)acetic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)COC2=CC=C(C=C2)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C20H21NO5/c1-13-4-5-14(2)18(10-13)21-20(24)15(3)26-19(23)12-25-17-8-6-16(11-22)7-9-17/h4-11,15H,12H2,1-3H3,(H,21,24)/t15-/m0/s1