2-[(4-cyanophenyl)amino]-2-[3-ethoxy-4-(1-oxidanylpropan-2-yloxy)phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-4-(1-oxidanylpropan-2-yloxy)phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(2-hydroxy-1-methyl-ethoxy)phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(1-hydroxypropan-2-yloxy)phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(1-hydroxypropan-2-yloxy)phenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(2-hydroxy-1-methyl-ethoxy)phenyl]acetate Formula: C20H21N2O5- MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OC(C)CO

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OC(C)CO

InChI

InChI=1S/C20H22N2O5/c1-3-26-18-10-15(6-9-17(18)27-13(2)12-23)19(20(24)25)22-16-7-4-14(11-21)5-8-16/h4-10,13,19,22-23H,3,12H2,1-2H3,(H,24,25)/p-1