3-[[3,4-bis(oxidanyl)phenyl]methyl]-6-butyl-4-(furan-2-ylmethyl)piperidine-2,5-dione

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methyl]-6-butyl-4-(furan-2-ylmethyl)piperidine-2,5-dione Openeye Name: 6-butyl-3-[(3,4-dihydroxyphenyl)methyl]-4-(2-furylmethyl)piperidine-2,5-dione CAS Name: 6-butyl-3-[(3,4-dihydroxyphenyl)methyl]-4-(2-furanylmethyl)piperidine-2,5-dione IUPAC Name: 6-butyl-3-[(3,4-dihydroxyphenyl)methyl]-4-(furan-2-ylmethyl)piperidine-2,5-dione Traditional Name: 6-butyl-4-(2-furfuryl)-3-protocatechuyl-piperidine-2,5-quinone Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)C(C(C(=O)N1)CC2=CC(=C(C=C2)O)O)CC3=CC=CO3

Isomeric SMILES

CCCCC1C(=O)C(C(C(=O)N1)CC2=CC(=C(C=C2)O)O)CC3=CC=CO3

InChI

InChI=1S/C21H25NO5/c1-2-3-6-17-20(25)15(12-14-5-4-9-27-14)16(21(26)22-17)10-13-7-8-18(23)19(24)11-13/h4-5,7-9,11,15-17,23-24H,2-3,6,10,12H2,1H3,(H,22,26)