[2-(1H-benzimidazol-2-ylmethyl)-3,5,6-trimethyl-4-oxidanyl-phenyl] 4-bromanylbenzoate

Systemtic Name: [2-(1H-benzimidazol-2-ylmethyl)-3,5,6-trimethyl-4-oxidanyl-phenyl] 4-bromanylbenzoate Openeye Name: [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethyl-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethylphenyl] ester IUPAC Name: [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethylphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-3,5,6-trimethyl-phenyl] ester Formula: C24H21BrN2O3 MolecularWeight: 465.33914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C)CC2=NC3=CC=CC=C3N2)OC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C)CC2=NC3=CC=CC=C3N2)OC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C24H21BrN2O3/c1-13-14(2)23(30-24(29)16-8-10-17(25)11-9-16)18(15(3)22(13)28)12-21-26-19-6-4-5-7-20(19)27-21/h4-11,28H,12H2,1-3H3,(H,26,27)