[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylcarbonylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 4-(furan-2-carbonylamino)benzoate CAS Name: 4-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate Traditional Name: 4-(2-furoylamino)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C25H23N3O5/c1-17-13-18(2)15-21(14-17)28(11-4-10-26)23(29)16-33-25(31)19-6-8-20(9-7-19)27-24(30)22-5-3-12-32-22/h3,5-9,12-15H,4,11,16H2,1-2H3,(H,27,30)