2-[6-fluoranyl-6-methyl-3-(3-methylphenyl)cyclohexa-1,4-dien-1-yl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid

Systemtic Name: 2-[6-fluoranyl-6-methyl-3-(3-methylphenyl)cyclohexa-1,4-dien-1-yl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[6-fluoro-6-methyl-3-(m-tolyl)cyclohexa-1,4-dien-1-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[6-fluoro-6-methyl-3-(3-methylphenyl)-1-cyclohexa-1,4-dienyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[6-fluoro-6-methyl-3-(3-methylphenyl)cyclohexa-1,4-dien-1-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[6-fluoro-6-methyl-3-(m-tolyl)cyclohexa-1,4-dien-1-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C26H21FN2O3 MolecularWeight: 428.454943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C=CC(C(=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O)(C)F

Isomeric SMILES

CC1=CC=CC(=C1)C2C=CC(C(=C2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O)(C)F

InChI

InChI=1S/C26H21FN2O3/c1-14-4-3-5-15(10-14)16-8-9-26(2,27)19(12-16)24-28-20-7-6-17-11-18(25(31)32)13-21(30)22(17)23(20)29-24/h3-13,16,30H,1-2H3,(H,28,29)(H,31,32)