2-[(4-cyanophenyl)amino]-2-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-3,5-dimethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-3,5-dimethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-oxo-ethoxy)-3,5-dimethoxy-phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-oxoethoxy)-3,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-oxoethoxy)-3,5-dimethoxyphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[2-(2-ethoxy-2-keto-ethoxy)-3,5-dimethoxy-phenyl]acetic acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1C(C(=O)O)NC2=CC=C(C=C2)C#N)OC)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1C(C(=O)O)NC2=CC=C(C=C2)C#N)OC)OC

InChI

InChI=1S/C21H22N2O7/c1-4-29-18(24)12-30-20-16(9-15(27-2)10-17(20)28-3)19(21(25)26)23-14-7-5-13(11-22)6-8-14/h5-10,19,23H,4,12H2,1-3H3,(H,25,26)