2-[4-[(3,4-dimethylphenyl)-oxidanyl-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[(3,4-dimethylphenyl)-oxidanyl-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[(3,4-dimethylphenyl)-hydroxy-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(3,4-dimethylphenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[(3,4-dimethylphenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[(3,4-dimethylphenyl)-hydroxy-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C23H20N2O3 MolecularWeight: 372.4165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O)O)C

InChI

InChI=1S/C23H20N2O3/c1-13-3-4-17(11-14(13)2)21(26)15-5-7-16(8-6-15)22-24-19-10-9-18(23(27)28)12-20(19)25-22/h3-12,21,26H,1-2H3,(H,24,25)(H,27,28)