(phenylmethyl) (2S)-2-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC3=C(C=C2)N=C(N3)C4CCCN4C(=O)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC3=C(C=C2)N=C(N3)[C@@H]4CCCN4C(=O)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H27N3O4/c1-32-20-11-12-21(25(16-20)33-2)19-10-13-22-23(15-19)29-26(28-22)24-9-6-14-30(24)27(31)34-17-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,24H,6,9,14,17H2,1-2H3,(H,28,29)/t24-/m0/s1