2,2-dimethylpropyl 2-[[2-cyano-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: 2,2-dimethylpropyl 2-[[2-cyano-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: 2,2-dimethylpropyl 2-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-cyano-anilino]-2-oxo-acetate CAS Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanoanilino]-2-oxoacetic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanoanilino]-2-oxoacetate Traditional Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-cyano-anilino]-2-keto-acetic acid neopentyl ester Formula: C28H34N2O8 MolecularWeight: 526.57816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC(=C2C#N)NC(=O)C(=O)OCC(C)(C)C)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC(=C2C#N)NC(=O)C(=O)OCC(C)(C)C)O

InChI

InChI=1S/C28H34N2O8/c1-6-8-20-24(12-11-19(17(2)31)25(20)33)37-15-18(32)14-36-23-10-7-9-22(21(23)13-29)30-26(34)27(35)38-16-28(3,4)5/h7,9-12,18,32-33H,6,8,14-16H2,1-5H3,(H,30,34)