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

Systemtic Name: O2-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester O4-methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)C)C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-6-18-20(22(28)30-5)16(4)21(25-18)23(29)31-13-19(27)26(9-7-8-24)17-11-14(2)10-15(3)12-17/h10-12,25H,6-7,9,13H2,1-5H3