ethyl 5-(butylamino)-3-[(2-chlorophenyl)methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 5-(butylamino)-3-[(2-chlorophenyl)methyl]imidazole-4-carboxylate Openeye Name: ethyl 5-(butylamino)-3-[(2-chlorophenyl)methyl]imidazole-4-carboxylate CAS Name: 5-(butylamino)-3-[(2-chlorophenyl)methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylamino)-3-[(2-chlorophenyl)methyl]imidazole-4-carboxylate Traditional Name: 5-(butylamino)-3-(2-chlorobenzyl)imidazole-4-carboxylic acid ethyl ester Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N(C=N1)CC2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCCCNC1=C(N(C=N1)CC2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C17H22ClN3O2/c1-3-5-10-19-16-15(17(22)23-4-2)21(12-20-16)11-13-8-6-7-9-14(13)18/h6-9,12,19H,3-5,10-11H2,1-2H3