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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5/c1-14(2)30-21(27)19-15(3)20(24-16(19)4)22(28)29-13-18(26)25(12-8-11-23)17-9-6-5-7-10-17/h5-7,9-10,14,24H,8,12-13H2,1-4H3