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

Systemtic Name: 2-[3-(4-tert-butylphenyl)-4-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[3-(4-tert-butylphenyl)-4-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[3-(4-tert-butylphenyl)-4-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[3-(4-tert-butylphenyl)-4-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[3-(4-tert-butylphenyl)-4-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O4/c1-29(2,3)20-9-5-16(6-10-20)21-14-18(8-12-24(21)35-4)27-30-22-11-7-17-13-19(28(33)34)15-23(32)25(17)26(22)31-27/h5-15,32H,1-4H3,(H,30,31)(H,33,34)