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

Systemtic Name: (phenylmethyl) (2S)-2-[[4-[(6-bromanyl-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[4-[(6-bromo-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-[(6-bromo-1H-benzimidazol-2-yl)methyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-[(6-bromo-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-[(6-bromo-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H25BrN4O3 MolecularWeight: 533.4164

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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)Br

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)Br

InChI

InChI=1S/C27H25BrN4O3/c28-20-10-13-22-23(16-20)31-25(30-22)15-18-8-11-21(12-9-18)29-26(33)24-7-4-14-32(24)27(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,8-13,16,24H,4,7,14-15,17H2,(H,29,33)(H,30,31)/t24-/m0/s1