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

Systemtic Name: (phenylmethyl) (2S)-2-[6-(3-ethanoylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(3-acetylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(3-acetylphenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(3-acetylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(3-acetylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)N=C(N3)C4CCCN4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)N=C(N3)[C@@H]4CCCN4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-18(31)20-9-5-10-21(15-20)22-12-13-23-24(16-22)29-26(28-23)25-11-6-14-30(25)27(32)33-17-19-7-3-2-4-8-19/h2-5,7-10,12-13,15-16,25H,6,11,14,17H2,1H3,(H,28,29)/t25-/m0/s1