[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(4-acetyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-acetyl-2-methoxyphenoxy)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-acetyl-2-methoxy-phenoxy)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-14(24)16-5-8-18(19(11-16)27-2)28-13-21(26)29-12-20(25)23-17-6-3-15(4-7-17)9-10-22/h3-8,11H,9,12-13H2,1-2H3,(H,23,25)