(phenylmethyl) (2S)-2-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(1H-benzimidazol-2-ylmethyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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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=CC=CC=C5N4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H26N4O3/c32-26(24-11-6-16-31(24)27(33)34-18-20-7-2-1-3-8-20)28-21-14-12-19(13-15-21)17-25-29-22-9-4-5-10-23(22)30-25/h1-5,7-10,12-15,24H,6,11,16-18H2,(H,28,32)(H,29,30)/t24-/m0/s1