6-[[3,4-bis(oxidanyl)phenyl]methyl]-1-(furan-2-ylmethyl)-3-hexyl-piperazine-2,5-dione

Systemtic Name: 6-[[3,4-bis(oxidanyl)phenyl]methyl]-1-(furan-2-ylmethyl)-3-hexyl-piperazine-2,5-dione Openeye Name: 6-[(3,4-dihydroxyphenyl)methyl]-1-(2-furylmethyl)-3-hexyl-piperazine-2,5-dione CAS Name: 6-[(3,4-dihydroxyphenyl)methyl]-1-(2-furanylmethyl)-3-hexylpiperazine-2,5-dione IUPAC Name: 6-[(3,4-dihydroxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-hexylpiperazine-2,5-dione Traditional Name: 1-(2-furfuryl)-3-hexyl-6-protocatechuyl-piperazine-2,5-quinone Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)N(C(C(=O)N1)CC2=CC(=C(C=C2)O)O)CC3=CC=CO3

Isomeric SMILES

CCCCCCC1C(=O)N(C(C(=O)N1)CC2=CC(=C(C=C2)O)O)CC3=CC=CO3

InChI

InChI=1S/C22H28N2O5/c1-2-3-4-5-8-17-22(28)24(14-16-7-6-11-29-16)18(21(27)23-17)12-15-9-10-19(25)20(26)13-15/h6-7,9-11,13,17-18,25-26H,2-5,8,12,14H2,1H3,(H,23,27)