(phenylmethyl) (2S)-2-[6-[3-(cyclopropylcarbamoyl)phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-[3-(cyclopropylcarbamoyl)phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-[3-(cyclopropylcarbamoyl)phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-[3-[(cyclopropylamino)-oxomethyl]phenyl]-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-[3-(cyclopropylcarbamoyl)phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-[3-(cyclopropylcarbamoyl)phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CC(=CC=C5)C(=O)NC6CC6

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CC(=CC=C5)C(=O)NC6CC6

InChI

InChI=1S/C29H28N4O3/c34-28(30-23-12-13-23)22-9-4-8-20(16-22)21-11-14-24-25(17-21)32-27(31-24)26-10-5-15-33(26)29(35)36-18-19-6-2-1-3-7-19/h1-4,6-9,11,14,16-17,23,26H,5,10,12-13,15,18H2,(H,30,34)(H,31,32)/t26-/m0/s1