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

Systemtic Name: 6-(4-azanyl-3-oxidanyl-butyl)-1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-propyl-piperazine-2,5-dione Openeye Name: 6-(4-amino-3-hydroxy-butyl)-1-[(3,4-dihydroxyphenyl)methyl]-3-propyl-piperazine-2,5-dione CAS Name: 6-(4-amino-3-hydroxybutyl)-1-[(3,4-dihydroxyphenyl)methyl]-3-propylpiperazine-2,5-dione IUPAC Name: 6-(4-amino-3-hydroxybutyl)-1-[(3,4-dihydroxyphenyl)methyl]-3-propylpiperazine-2,5-dione Traditional Name: 6-(4-amino-3-hydroxy-butyl)-3-propyl-1-protocatechuyl-piperazine-2,5-quinone Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-2-3-13-18(26)21(10-11-4-7-15(23)16(24)8-11)14(17(25)20-13)6-5-12(22)9-19/h4,7-8,12-14,22-24H,2-3,5-6,9-10,19H2,1H3,(H,20,25)