[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)C

InChI

InChI=1S/C22H27N3O3/c1-6-24-17(4)13-20(18(24)5)22(27)28-14-21(26)25(9-7-8-23)19-11-15(2)10-16(3)12-19/h10-13H,6-7,9,14H2,1-5H3