bis(phenylmethyl) (2S)-4-(cyanomethyl)-2,5-dihydropyrrole-1,2-dicarboxylate

Systemtic Name: bis(phenylmethyl) (2S)-4-(cyanomethyl)-2,5-dihydropyrrole-1,2-dicarboxylate Openeye Name: dibenzyl (2S)-4-(cyanomethyl)-2,5-dihydropyrrole-1,2-dicarboxylate CAS Name: (2S)-4-(cyanomethyl)-2,5-dihydropyrrole-1,2-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2S)-4-(cyanomethyl)-2,5-dihydropyrrole-1,2-dicarboxylate Traditional Name: (2S)-4-(cyanomethyl)-3-pyrroline-1,2-dicarboxylic acid dibenzyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(N1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CC#N

Isomeric SMILES

C1C(=C[C@H](N1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C22H20N2O4/c23-12-11-19-13-20(21(25)27-15-17-7-3-1-4-8-17)24(14-19)22(26)28-16-18-9-5-2-6-10-18/h1-10,13,20H,11,14-16H2/t20-/m0/s1