trimethyl (2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate

Systemtic Name: trimethyl (2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate Openeye Name: trimethyl (2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate CAS Name: (2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (2S,5S)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate Traditional Name: (2S,5S)-5-(4-cyanophenyl)-2-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(NC1C2=CC=C(C=C2)C#N)(C3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C([C@@](N[C@H]1C2=CC=C(C=C2)C#N)(C3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H20N2O6/c1-29-20(26)17-18(21(27)30-2)23(22(28)31-3,16-7-5-4-6-8-16)25-19(17)15-11-9-14(13-24)10-12-15/h4-12,19,25H,1-3H3/t19-,23-/m0/s1