(phenylmethyl) (2S)-2-[[4-[(6-cyano-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-[(6-cyano-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[4-[(6-cyano-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-[(6-cyano-1H-benzimidazol-2-yl)methyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-[(6-cyano-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-[(6-cyano-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC4=NC5=C(N4)C=C(C=C5)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC4=NC5=C(N4)C=C(C=C5)C#N

InChI

InChI=1S/C28H25N5O3/c29-17-21-10-13-23-24(15-21)32-26(31-23)16-19-8-11-22(12-9-19)30-27(34)25-7-4-14-33(25)28(35)36-18-20-5-2-1-3-6-20/h1-3,5-6,8-13,15,25H,4,7,14,16,18H2,(H,30,34)(H,31,32)/t25-/m0/s1