1-[3-bromanyl-2-oxidanyl-4-[4-(2-phenylbenzimidazol-1-yl)oxybutoxy]phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[3-bromanyl-2-oxidanyl-4-[4-(2-phenylbenzimidazol-1-yl)oxybutoxy]phenyl]-3-methyl-butan-1-one Openeye Name: 1-[3-bromo-2-hydroxy-4-[4-(2-phenylbenzimidazol-1-yl)oxybutoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[3-bromo-2-hydroxy-4-[4-[(2-phenyl-1-benzimidazolyl)oxy]butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[3-bromo-2-hydroxy-4-[4-(2-phenylbenzimidazol-1-yl)oxybutoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[3-bromo-2-hydroxy-4-[4-(2-phenylbenzimidazol-1-yl)oxybutoxy]phenyl]-3-methyl-butan-1-one Formula: C28H29BrN2O4 MolecularWeight: 537.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCON2C3=CC=CC=C3N=C2C4=CC=CC=C4)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCON2C3=CC=CC=C3N=C2C4=CC=CC=C4)Br)O

InChI

InChI=1S/C28H29BrN2O4/c1-19(2)18-24(32)21-14-15-25(26(29)27(21)33)34-16-8-9-17-35-31-23-13-7-6-12-22(23)30-28(31)20-10-4-3-5-11-20/h3-7,10-15,19,33H,8-9,16-18H2,1-2H3