dimethyl (2S,5R)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,5-dicarboxylate

Systemtic Name: dimethyl (2S,5R)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,5-dicarboxylate Openeye Name: dimethyl (2S,5R)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,5-dicarboxylate CAS Name: (2S,5R)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,5R)-2-(4-cyanophenyl)-5-phenyl-1,2-dihydropyrrole-3,5-dicarboxylate Traditional Name: (2R,5S)-5-(4-cyanophenyl)-2-phenyl-3-pyrroline-2,4-dicarboxylic acid dimethyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H18N2O4/c1-26-19(24)17-12-21(20(25)27-2,16-6-4-3-5-7-16)23-18(17)15-10-8-14(13-22)9-11-15/h3-12,18,23H,1-2H3/t18-,21+/m0/s1