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

Systemtic Name: 2-[3-(4-tert-butylphenyl)phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[3-(4-tert-butylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[3-(4-tert-butylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[3-(4-tert-butylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[3-(4-tert-butylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H24N2O3/c1-28(2,3)21-10-7-16(8-11-21)17-5-4-6-19(13-17)26-29-22-12-9-18-14-20(27(32)33)15-23(31)24(18)25(22)30-26/h4-15,31H,1-3H3,(H,29,30)(H,32,33)