5-[2-cyano-2-[(phenylmethyl)amino]ethyl]pyrrolidine-1,2-dicarboxylate

Systemtic Name: 5-[2-cyano-2-[(phenylmethyl)amino]ethyl]pyrrolidine-1,2-dicarboxylate Openeye Name: 5-[2-(benzylamino)-2-cyano-ethyl]pyrrolidine-1,2-dicarboxylate CAS Name: 5-[2-cyano-2-[(phenylmethyl)amino]ethyl]pyrrolidine-1,2-dicarboxylate IUPAC Name: 5-[2-(benzylamino)-2-cyanoethyl]pyrrolidine-1,2-dicarboxylate Traditional Name: 5-[2-(benzylamino)-2-cyano-ethyl]pyrrolidine-1,2-dicarboxylate Formula: C16H17N3O4-2 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1CC(C#N)NCC2=CC=CC=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC(N(C1CC(C#N)NCC2=CC=CC=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c17-9-12(18-10-11-4-2-1-3-5-11)8-13-6-7-14(15(20)21)19(13)16(22)23/h1-5,12-14,18H,6-8,10H2,(H,20,21)(H,22,23)/p-2