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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-15-11-16(2)13-17(12-15)24(9-4-7-22)19(25)14-29-20(26)6-8-23-21(27)18-5-3-10-28-18/h3,5,10-13H,4,6,8-9,14H2,1-2H3,(H,23,27)