tert-butyl 4-[2-(1-cyclopropyl-5-fluoranyl-benzimidazol-2-yl)ethanoyloxy]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1-cyclopropyl-5-fluoranyl-benzimidazol-2-yl)ethanoyloxy]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1-cyclopropyl-5-fluoro-benzimidazol-2-yl)acetyl]oxypiperazine-1-carboxylate CAS Name: 4-[2-(1-cyclopropyl-5-fluoro-2-benzimidazolyl)-1-oxoethoxy]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)acetyl]oxypiperazine-1-carboxylate Traditional Name: 4-[2-(1-cyclopropyl-5-fluoro-benzimidazol-2-yl)acetyl]oxypiperazine-1-carboxylic acid tert-butyl ester Formula: C21H27FN4O4 MolecularWeight: 418.461883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)OC(=O)CC2=NC3=C(N2C4CC4)C=CC(=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)OC(=O)CC2=NC3=C(N2C4CC4)C=CC(=C3)F

InChI

InChI=1S/C21H27FN4O4/c1-21(2,3)29-20(28)24-8-10-25(11-9-24)30-19(27)13-18-23-16-12-14(22)4-7-17(16)26(18)15-5-6-15/h4,7,12,15H,5-6,8-11,13H2,1-3H3