[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-phenylmethoxyphenoxy)ethanoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C26H26O5/c1-18-9-10-22(15-19(18)2)26(28)20(3)31-25(27)17-30-24-13-11-23(12-14-24)29-16-21-7-5-4-6-8-21/h4-15,20H,16-17H2,1-3H3/t20-/m0/s1