3,5-dimethyl-4-[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(6-benzoyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(6-benzoyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(6-benzoyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(6-benzoyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C2=NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C21H17N3O3/c1-11-17(12(2)22-18(11)21(26)27)20-23-15-9-8-14(10-16(15)24-20)19(25)13-6-4-3-5-7-13/h3-10,22H,1-2H3,(H,23,24)(H,26,27)