1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-ethanoyl-2-methoxy-phenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-ethanoyl-2-methoxy-phenoxy)ethanone Openeye Name: 2-(4-acetyl-2-methoxy-phenoxy)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(4-acetyl-2-methoxyphenoxy)-1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-acetyl-2-methoxyphenoxy)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(4-acetyl-2-methoxy-phenoxy)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]ethanone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-14(26)15-9-10-19(20(12-15)28-2)29-13-21(27)25-11-5-8-18(25)22-23-16-6-3-4-7-17(16)24-22/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3,(H,23,24)/t18-/m0/s1