2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-(2-methyl-3-oxidanyl-imidazol-4-yl)phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-(2-methyl-3-oxidanyl-imidazol-4-yl)phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methyl-imidazol-4-yl)phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methyl-4-imidazolyl)phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methylimidazol-4-yl)phenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methyl-imidazol-4-yl)phenyl]acetate Formula: C21H19N4O4- MolecularWeight: 391.39996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)C3=CN=C(N3O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)C3=CN=C(N3O)C

InChI

InChI=1S/C21H20N4O4/c1-3-29-18-9-15(19-12-23-13(2)25(19)28)8-16(10-18)20(21(26)27)24-17-6-4-14(11-22)5-7-17/h4-10,12,20,24,28H,3H2,1-2H3,(H,26,27)/p-1