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

Systemtic Name: 9-oxidanyl-2-[3-(4-propylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 9-hydroxy-2-[3-(4-propylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 9-hydroxy-2-[3-(4-propylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 9-hydroxy-2-[3-(4-propylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 9-hydroxy-2-[3-(4-propylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

InChI

InChI=1S/C27H22N2O3/c1-2-4-16-7-9-17(10-8-16)18-5-3-6-20(13-18)26-28-22-12-11-19-14-21(27(31)32)15-23(30)24(19)25(22)29-26/h3,5-15,30H,2,4H2,1H3,(H,28,29)(H,31,32)