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

Systemtic Name: trimethyl (2S,5S)-2-(4-chlorophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate Openeye Name: trimethyl (2S,5S)-2-(4-chlorophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate CAS Name: (2S,5S)-2-(4-chlorophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (2S,5S)-2-(4-chlorophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate Traditional Name: (2S,5S)-5-(4-chlorophenyl)-2-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H20ClNO6/c1-28-19(25)16-17(20(26)29-2)22(21(27)30-3,14-7-5-4-6-8-14)24-18(16)13-9-11-15(23)12-10-13/h4-12,18,24H,1-3H3/t18-,22-/m0/s1