O1-[2-(4-cyanophenyl)ethyl] O2-(phenylmethyl) pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-[2-(4-cyanophenyl)ethyl] O2-(phenylmethyl) pyrrolidine-1,2-dicarboxylate Openeye Name: O2-benzyl O1-[2-(4-cyanophenyl)ethyl] pyrrolidine-1,2-dicarboxylate CAS Name: pyrrolidine-1,2-dicarboxylic acid O1-[2-(4-cyanophenyl)ethyl] ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-[2-(4-cyanophenyl)ethyl] pyrrolidine-1,2-dicarboxylate Traditional Name: pyrrolidine-1,2-dicarboxylic acid O2-benzyl ester O1-[2-(4-cyanophenyl)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCCC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)OCCC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c23-15-18-10-8-17(9-11-18)12-14-27-22(26)24-13-4-7-20(24)21(25)28-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-14,16H2