[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloro-5-ethoxy-4-propoxy-phenyl)methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-(3-chloro-5-ethoxy-4-propoxy-phenyl)methanone Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)OCC

InChI

InChI=1S/C23H26ClN3O3/c1-3-12-30-21-16(24)13-15(14-20(21)29-4-2)23(28)27-11-7-10-19(27)22-25-17-8-5-6-9-18(17)26-22/h5-6,8-9,13-14,19H,3-4,7,10-12H2,1-2H3,(H,25,26)/t19-/m0/s1