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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-2-methoxy-phenyl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[3-(3,4-dimethylphenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[3-(3,4-dimethylphenyl)-2-methoxy-phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O4/c1-14-7-8-16(11-15(14)2)19-5-4-6-20(25(19)33-3)26-28-21-10-9-17-12-18(27(31)32)13-22(30)23(17)24(21)29-26/h4-13,30H,1-3H3,(H,28,29)(H,31,32)