6-methoxy-1,4-bis(oxidanyl)-5-pentoxy-2-phenethyl-isoquinolin-3-one

Systemtic Name: 6-methoxy-1,4-bis(oxidanyl)-5-pentoxy-2-phenethyl-isoquinolin-3-one Openeye Name: 1,4-dihydroxy-6-methoxy-5-pentoxy-2-phenethyl-isoquinolin-3-one CAS Name: 1,4-dihydroxy-6-methoxy-5-pentoxy-2-phenethyl-3-isoquinolinone IUPAC Name: 1,4-dihydroxy-6-methoxy-5-pentoxy-2-phenethylisoquinolin-3-one Traditional Name: 5-amoxy-1,4-dihydroxy-6-methoxy-2-phenethyl-3-isoquinolone Formula: C23H27NO5 MolecularWeight: 397.46418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C(N(C(=O)C(=C21)O)CCC3=CC=CC=C3)O)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C(N(C(=O)C(=C21)O)CCC3=CC=CC=C3)O)OC

InChI

InChI=1S/C23H27NO5/c1-3-4-8-15-29-21-18(28-2)12-11-17-19(21)20(25)23(27)24(22(17)26)14-13-16-9-6-5-7-10-16/h5-7,9-12,25-26H,3-4,8,13-15H2,1-2H3