2-[5-(4-tert-butylphenyl)-2-fluoranyl-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid

Systemtic Name: 2-[5-(4-tert-butylphenyl)-2-fluoranyl-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[5-(4-tert-butylphenyl)-2-fluoro-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[5-(4-tert-butylphenyl)-2-fluorophenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[5-(4-tert-butylphenyl)-2-fluorophenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[5-(4-tert-butylphenyl)-2-fluoro-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C28H23FN2O3 MolecularWeight: 454.492223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

InChI

InChI=1S/C28H23FN2O3/c1-28(2,3)19-8-4-15(5-9-19)16-6-10-21(29)20(13-16)26-30-22-11-7-17-12-18(27(33)34)14-23(32)24(17)25(22)31-26/h4-14,32H,1-3H3,(H,30,31)(H,33,34)