[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25ClO4 MolecularWeight: 388.8845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)O[C@@H](C)C(=O)C2=CC=C(C=C2)C(C)(C)C)Cl

InChI

InChI=1S/C22H25ClO4/c1-14-12-18(10-11-19(14)23)26-13-20(24)27-15(2)21(25)16-6-8-17(9-7-16)22(3,4)5/h6-12,15H,13H2,1-5H3/t15-/m0/s1