ethyl 2-[4-(2-azanylpropan-2-yl)phenyl]-4-(4-chlorophenyl)-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(2-azanylpropan-2-yl)phenyl]-4-(4-chlorophenyl)-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[4-(1-amino-1-methyl-ethyl)phenyl]-4-(4-chlorophenyl)-1H-imidazole-5-carboxylate CAS Name: 2-[4-(2-aminopropan-2-yl)phenyl]-4-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-aminopropan-2-yl)phenyl]-4-(4-chlorophenyl)-1H-imidazole-5-carboxylate Traditional Name: 2-[4-(1-amino-1-methyl-ethyl)phenyl]-4-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid ethyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1)C2=CC=C(C=C2)C(C)(C)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1)C2=CC=C(C=C2)C(C)(C)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-4-27-20(26)18-17(13-7-11-16(22)12-8-13)24-19(25-18)14-5-9-15(10-6-14)21(2,3)23/h5-12H,4,23H2,1-3H3,(H,24,25)