4-[4-[2-oxidanyl-3-[2-(1-phenoxyethyl)benzimidazol-1-yl]propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[2-oxidanyl-3-[2-(1-phenoxyethyl)benzimidazol-1-yl]propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[2-hydroxy-3-[2-(1-phenoxyethyl)benzimidazol-1-yl]propoxy]phenyl]butan-2-one CAS Name: 4-[4-[2-hydroxy-3-[2-(1-phenoxyethyl)-1-benzimidazolyl]propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[2-hydroxy-3-[2-(1-phenoxyethyl)benzimidazol-1-yl]propoxy]phenyl]butan-2-one Traditional Name: 4-[4-[2-hydroxy-3-[2-(1-phenoxyethyl)benzimidazol-1-yl]propoxy]phenyl]butan-2-one Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)CCC(=O)C)O)OC4=CC=CC=C4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)CCC(=O)C)O)OC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4/c1-20(31)12-13-22-14-16-24(17-15-22)33-19-23(32)18-30-27-11-7-6-10-26(27)29-28(30)21(2)34-25-8-4-3-5-9-25/h3-11,14-17,21,23,32H,12-13,18-19H2,1-2H3