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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C22H25N3O5/c1-5-29-21(27)18-14(2)19(24-15(18)3)22(28)30-16(4)20(26)25(13-9-12-23)17-10-7-6-8-11-17/h6-8,10-11,16,24H,5,9,13H2,1-4H3