8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)-2-phenoxy-chromen-4-one

Systemtic Name: 8-[(3R,4S)-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)-2-phenoxy-chromen-4-one Openeye Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-2-phenoxy-chromen-4-one CAS Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl]-2-phenoxy-1-benzopyran-4-one IUPAC Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-phenoxychromen-4-one Traditional Name: 5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidyl]-2-phenoxy-chromone Formula: C21H21NO6 MolecularWeight: 383.39454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)OC4=CC=CC=C4)O)O

Isomeric SMILES

CN1CC[C@H]([C@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)OC4=CC=CC=C4)O)O

InChI

InChI=1S/C21H21NO6/c1-22-8-7-13(17(26)11-22)19-14(23)9-15(24)20-16(25)10-18(28-21(19)20)27-12-5-3-2-4-6-12/h2-6,9-10,13,17,23-24,26H,7-8,11H2,1H3/t13-,17+/m1/s1