2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-(imidazol-1-ylmethyl)phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-(imidazol-1-ylmethyl)phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(imidazol-1-ylmethyl)phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(1-imidazolylmethyl)phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(imidazol-1-ylmethyl)phenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(imidazol-1-ylmethyl)phenyl]acetate Formula: C21H19N4O3- MolecularWeight: 375.40056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)CN3C=CN=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)CN3C=CN=C3

InChI

InChI=1S/C21H20N4O3/c1-2-28-19-10-16(13-25-8-7-23-14-25)9-17(11-19)20(21(26)27)24-18-5-3-15(12-22)4-6-18/h3-11,14,20,24H,2,13H2,1H3,(H,26,27)/p-1