2-[[4-(2-azanyl-3-oxidanyl-4-oxidanylidene-hexan-3-yl)phenyl]methyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[4-(2-azanyl-3-oxidanyl-4-oxidanylidene-hexan-3-yl)phenyl]methyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[4-[1-(1-aminoethyl)-1-hydroxy-2-oxo-butyl]phenyl]methyl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone CAS Name: 2-[[4-(2-amino-3-hydroxy-4-oxohexan-3-yl)phenyl]methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[4-(2-amino-3-hydroxy-4-oxohexan-3-yl)phenyl]methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[4-[1-(1-aminoethyl)-1-hydroxy-2-keto-butyl]benzyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=C(C=C1)CC2=C(C(=O)C(=C(C2=O)OC)OC)C)(C(C)N)O

Isomeric SMILES

CCC(=O)C(C1=CC=C(C=C1)CC2=C(C(=O)C(=C(C2=O)OC)OC)C)(C(C)N)O

InChI

InChI=1S/C22H27NO6/c1-6-17(24)22(27,13(3)23)15-9-7-14(8-10-15)11-16-12(2)18(25)20(28-4)21(29-5)19(16)26/h7-10,13,27H,6,11,23H2,1-5H3