tert-butyl 4-[2-acetyloxy-4-(1H-imidazol-2-yl)-3-methyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-acetyloxy-4-(1H-imidazol-2-yl)-3-methyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-acetoxy-4-(1H-imidazol-2-yl)-3-methyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-acetyloxy-4-(1H-imidazol-2-yl)-3-methylphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-acetyloxy-4-(1H-imidazol-2-yl)-3-methylphenyl]piperazine-1-carboxylate Traditional Name: 4-[2-acetoxy-4-(1H-imidazol-2-yl)-3-methyl-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC(=O)C)N2CCN(CC2)C(=O)OC(C)(C)C)C3=NC=CN3

Isomeric SMILES

CC1=C(C=CC(=C1OC(=O)C)N2CCN(CC2)C(=O)OC(C)(C)C)C3=NC=CN3

InChI

InChI=1S/C21H28N4O4/c1-14-16(19-22-8-9-23-19)6-7-17(18(14)28-15(2)26)24-10-12-25(13-11-24)20(27)29-21(3,4)5/h6-9H,10-13H2,1-5H3,(H,22,23)