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

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 4-ureidobenzoate CAS Name: 4-(carbamoylamino)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-(carbamoylamino)benzoate Traditional Name: 4-ureidobenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-14-10-15(2)12-18(11-14)25(9-3-8-22)19(26)13-29-20(27)16-4-6-17(7-5-16)24-21(23)28/h4-7,10-12H,3,9,13H2,1-2H3,(H3,23,24,28)