O4-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester O2-ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C22H25N3O5/c1-5-29-22(28)20-15(3)19(16(4)24-20)21(27)30-13-18(26)25(12-6-11-23)17-9-7-14(2)8-10-17/h7-10,24H,5-6,12-13H2,1-4H3