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

Systemtic Name: 2-[5-(4-tert-butylphenyl)pyridin-3-yl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[5-(4-tert-butylphenyl)-3-pyridyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[5-(4-tert-butylphenyl)-3-pyridinyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[5-(4-tert-butylphenyl)pyridin-3-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[5-(4-tert-butylphenyl)-3-pyridyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H23N3O3/c1-27(2,3)20-7-4-15(5-8-20)18-11-19(14-28-13-18)25-29-21-9-6-16-10-17(26(32)33)12-22(31)23(16)24(21)30-25/h4-14,31H,1-3H3,(H,29,30)(H,32,33)