[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C(C)NC(=O)C2=CC=CO2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C(C)NC(=O)C2=CC=CO2)C

InChI

InChI=1S/C21H23N3O5/c1-14-10-15(2)12-17(11-14)24(8-5-7-22)19(25)13-29-21(27)16(3)23-20(26)18-6-4-9-28-18/h4,6,9-12,16H,5,8,13H2,1-3H3,(H,23,26)