6-[[3,4-bis(oxidanyl)phenyl]methyl]-1-(2-oxidanylidenepropyl)-3-propyl-piperazine-2,5-dione

Systemtic Name: 6-[[3,4-bis(oxidanyl)phenyl]methyl]-1-(2-oxidanylidenepropyl)-3-propyl-piperazine-2,5-dione Openeye Name: 1-acetonyl-6-[(3,4-dihydroxyphenyl)methyl]-3-propyl-piperazine-2,5-dione CAS Name: 6-[(3,4-dihydroxyphenyl)methyl]-1-(2-oxopropyl)-3-propylpiperazine-2,5-dione IUPAC Name: 6-[(3,4-dihydroxyphenyl)methyl]-1-(2-oxopropyl)-3-propylpiperazine-2,5-dione Traditional Name: 1-acetonyl-3-propyl-6-protocatechuyl-piperazine-2,5-quinone Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(C(=O)N1)CC2=CC(=C(C=C2)O)O)CC(=O)C

Isomeric SMILES

CCCC1C(=O)N(C(C(=O)N1)CC2=CC(=C(C=C2)O)O)CC(=O)C

InChI

InChI=1S/C17H22N2O5/c1-3-4-12-17(24)19(9-10(2)20)13(16(23)18-12)7-11-5-6-14(21)15(22)8-11/h5-6,8,12-13,21-22H,3-4,7,9H2,1-2H3,(H,18,23)