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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(2-ethoxy-2-oxo-ethoxy)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(2-ethoxy-2-oxoethoxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(2-ethoxy-2-oxoethoxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(2-ethoxy-2-keto-ethoxy)phenyl]acetic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC(=O)OCC)C(C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC(=O)OCC)C(C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O6/c1-3-27-17-9-15(10-18(11-17)29-13-19(24)28-4-2)20(21(25)26)23-16-7-5-14(12-22)6-8-16/h5-11,20,23H,3-4,13H2,1-2H3,(H,25,26)