tert-butyl 3-(2-methylpropyl)-5-(2-phenylbutanoylamino)-2-propyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 3-(2-methylpropyl)-5-(2-phenylbutanoylamino)-2-propyl-imidazole-4-carboxylate Openeye Name: tert-butyl 3-isobutyl-5-(2-phenylbutanoylamino)-2-propyl-imidazole-4-carboxylate CAS Name: 3-(2-methylpropyl)-5-[(1-oxo-2-phenylbutyl)amino]-2-propyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-methylpropyl)-5-(2-phenylbutanoylamino)-2-propylimidazole-4-carboxylate Traditional Name: 3-isobutyl-5-(2-phenylbutanoylamino)-2-propyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3/c1-8-13-20-26-22(27-23(29)19(9-2)18-14-11-10-12-15-18)21(28(20)16-17(3)4)24(30)31-25(5,6)7/h10-12,14-15,17,19H,8-9,13,16H2,1-7H3,(H,27,29)