tert-butyl 2-[2-(3-chloranyl-4-iodanyl-phenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(3-chloranyl-4-iodanyl-phenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-imidazole-1-carboxylate Openeye Name: tert-butyl 2-[1-(tert-butoxycarbonylamino)-2-(3-chloro-4-iodo-phenyl)ethyl]-5-phenyl-imidazole-1-carboxylate CAS Name: 2-[2-(3-chloro-4-iodophenyl)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-5-phenyl-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(3-chloro-4-iodophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenylimidazole-1-carboxylate Traditional Name: 2-[1-(tert-butoxycarbonylamino)-2-(3-chloro-4-iodo-phenyl)ethyl]-5-phenyl-imidazole-1-carboxylic acid tert-butyl ester Formula: C27H31ClIN3O4 MolecularWeight: 623.91021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)I)Cl)C2=NC=C(N2C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)I)Cl)C2=NC=C(N2C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H31ClIN3O4/c1-26(2,3)35-24(33)31-21(15-17-12-13-20(29)19(28)14-17)23-30-16-22(18-10-8-7-9-11-18)32(23)25(34)36-27(4,5)6/h7-14,16,21H,15H2,1-6H3,(H,31,33)