2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-ethoxy-5-ethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-ethoxy-5-ethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-[2-(2-amino-2-oxo-ethoxy)-4-ethoxy-5-ethyl-phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-[2-(2-amino-2-oxoethoxy)-4-ethoxy-5-ethylphenyl]-2-(4-cyanoanilino)acetate IUPAC Name: 2-[2-(2-amino-2-oxoethoxy)-4-ethoxy-5-ethylphenyl]-2-(4-cyanoanilino)acetate Traditional Name: 2-[2-(2-amino-2-keto-ethoxy)-4-ethoxy-5-ethyl-phenyl]-2-(4-cyanoanilino)acetate Formula: C21H22N3O5- MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCC)OCC(=O)N)C(C(=O)[O-])NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC(=C(C=C1OCC)OCC(=O)N)C(C(=O)[O-])NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N3O5/c1-3-14-9-16(18(29-12-19(23)25)10-17(14)28-4-2)20(21(26)27)24-15-7-5-13(11-22)6-8-15/h5-10,20,24H,3-4,12H2,1-2H3,(H2,23,25)(H,26,27)/p-1