(phenylmethyl) 2-(cyanomethyl)-4-phenyl-2,5-dihydropyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(cyanomethyl)-4-phenyl-2,5-dihydropyrrole-1-carboxylate Openeye Name: benzyl 2-(cyanomethyl)-4-phenyl-2,5-dihydropyrrole-1-carboxylate CAS Name: 2-(cyanomethyl)-4-phenyl-2,5-dihydropyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(cyanomethyl)-4-phenyl-2,5-dihydropyrrole-1-carboxylate Traditional Name: 2-(cyanomethyl)-4-phenyl-3-pyrroline-1-carboxylic acid benzyl ester Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2/c21-12-11-19-13-18(17-9-5-2-6-10-17)14-22(19)20(23)24-15-16-7-3-1-4-8-16/h1-10,13,19H,11,14-15H2