(phenylmethyl) (2S)-2-[[4-[(6-bromanyl-4,5-dimethyl-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-[(6-bromanyl-4,5-dimethyl-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[4-[(6-bromo-4,5-dimethyl-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-[(6-bromo-4,5-dimethyl-1H-benzimidazol-2-yl)methyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-[(6-bromo-4,5-dimethyl-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-[(6-bromo-4,5-dimethyl-1H-benzimidazol-2-yl)methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H29BrN4O3 MolecularWeight: 561.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)N=C(N2)CC3=CC=C(C=C3)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5)Br

Isomeric SMILES

CC1=C(C=C2C(=C1C)N=C(N2)CC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4C(=O)OCC5=CC=CC=C5)Br

InChI

InChI=1S/C29H29BrN4O3/c1-18-19(2)27-24(16-23(18)30)32-26(33-27)15-20-10-12-22(13-11-20)31-28(35)25-9-6-14-34(25)29(36)37-17-21-7-4-3-5-8-21/h3-5,7-8,10-13,16,25H,6,9,14-15,17H2,1-2H3,(H,31,35)(H,32,33)/t25-/m0/s1