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

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethylphenoxy)ethanone Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethylphenoxy)ethanone CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(2,4-dimethylphenoxy)ethanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethylphenoxy)ethanone Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-2-(2,4-dimethylphenoxy)ethanone Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-14-9-10-19(15(2)12-14)26-13-20(25)24-11-5-8-18(24)21-22-16-6-3-4-7-17(16)23-21/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3,(H,22,23)/t18-/m0/s1