[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C22H23ClN2O4/c1-22(2,3)16-5-8-18(9-6-16)28-11-10-21(27)29-14-20(26)25-19-12-17(23)7-4-15(19)13-24/h4-9,12H,10-11,14H2,1-3H3,(H,25,26)