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

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

CCCCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

Isomeric SMILES

CCCCC1=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/c1-2-3-5-17-8-10-18(11-9-17)19-6-4-7-21(14-19)27-29-23-13-12-20-15-22(28(32)33)16-24(31)25(20)26(23)30-27/h4,6-16,31H,2-3,5H2,1H3,(H,29,30)(H,32,33)