[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C20H20N2O4/c1-13-8-14(2)10-18(9-13)25-12-19(23)26-15(3)20(24)22-17-6-4-16(11-21)5-7-17/h4-10,15H,12H2,1-3H3,(H,22,24)/t15-/m1/s1