1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-2-(2,4,6-trimethylphenoxy)ethanone Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCCC2C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H25N3O2/c1-14-11-15(2)21(16(3)12-14)27-13-20(26)25-10-6-9-19(25)22-23-17-7-4-5-8-18(17)24-22/h4-5,7-8,11-12,19H,6,9-10,13H2,1-3H3,(H,23,24)/t19-/m0/s1