tert-butyl 5-[(4-chlorophenyl)carbonylamino]-3-(2-methylpropyl)-2-propyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 5-[(4-chlorophenyl)carbonylamino]-3-(2-methylpropyl)-2-propyl-imidazole-4-carboxylate Openeye Name: tert-butyl 5-[(4-chlorobenzoyl)amino]-3-isobutyl-2-propyl-imidazole-4-carboxylate CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-3-(2-methylpropyl)-2-propyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-3-isobutyl-2-propyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC(C)C)C(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=NC(=C(N1CC(C)C)C(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H30ClN3O3/c1-7-8-17-24-19(25-20(27)15-9-11-16(23)12-10-15)18(26(17)13-14(2)3)21(28)29-22(4,5)6/h9-12,14H,7-8,13H2,1-6H3,(H,25,27)