[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H22N2O4/c1-15-7-8-16(2)19(13-15)26-12-10-21(25)27-11-9-20(24)23-18-6-4-3-5-17(18)14-22/h3-8,13H,9-12H2,1-2H3,(H,23,24)