2-[(4-cyanophenyl)amino]-2-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-4,5-dimethyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-4,5-dimethyl-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-oxo-ethoxy)-4,5-dimethyl-phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-oxoethoxy)-4,5-dimethylphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-oxoethoxy)-4,5-dimethylphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-keto-ethoxy)-4,5-dimethyl-phenyl]acetic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C(=C1)C)C)C(C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C(=C1)C)C)C(C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O5/c1-4-27-19(24)12-28-18-10-14(3)13(2)9-17(18)20(21(25)26)23-16-7-5-15(11-22)6-8-16/h5-10,20,23H,4,12H2,1-3H3,(H,25,26)