[2-(6-chloranyl-1H-benzimidazol-2-yl)-5-(diethylamino)phenyl] 2,2-dimethylpropanoate

Systemtic Name: [2-(6-chloranyl-1H-benzimidazol-2-yl)-5-(diethylamino)phenyl] 2,2-dimethylpropanoate Openeye Name: [2-(6-chloro-1H-benzimidazol-2-yl)-5-(diethylamino)phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(6-chloro-1H-benzimidazol-2-yl)-5-(diethylamino)phenyl] ester IUPAC Name: [2-(6-chloro-1H-benzimidazol-2-yl)-5-(diethylamino)phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(6-chloro-1H-benzimidazol-2-yl)-5-(diethylamino)phenyl] ester Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl)OC(=O)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl)OC(=O)C(C)(C)C

InChI

InChI=1S/C22H26ClN3O2/c1-6-26(7-2)15-9-10-16(19(13-15)28-21(27)22(3,4)5)20-24-17-11-8-14(23)12-18(17)25-20/h8-13H,6-7H2,1-5H3,(H,24,25)