tert-butyl 4-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-6-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-6-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-oxo-6,7-dihydro-5H-benzofuran-6-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-oxo-6,7-dihydro-5H-benzofuran-6-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-oxo-6,7-dihydro-5H-1-benzofuran-6-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(4-keto-6,7-dihydro-5H-benzofuran-6-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2CC3=C(C=CO3)C(=O)C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2CC3=C(C=CO3)C(=O)C2

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-7-5-19(6-8-20)12-13-10-15(21)14-4-9-23-16(14)11-13/h4,9,13H,5-8,10-12H2,1-3H3