tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-(4-tert-butoxycarbonylpiperazin-1-yl)benzimidazole-1-carboxylate CAS Name: 5-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzimidazole-1-carboxylate Traditional Name: 5-(4-tert-butoxycarbonylpiperazino)benzimidazole-1-carboxylic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)N(C=N3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)N(C=N3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O4/c1-20(2,3)28-18(26)24-11-9-23(10-12-24)15-7-8-17-16(13-15)22-14-25(17)19(27)29-21(4,5)6/h7-8,13-14H,9-12H2,1-6H3