tert-butyl 4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[2-(phenoxymethyl)-1-benzimidazolyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-25(2,3)33-24(31)28-15-13-27(14-16-28)23(30)17-29-21-12-8-7-11-20(21)26-22(29)18-32-19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3