2-[2-(4-hydroxyphenyl)ethyl]-3-methoxy-5-pentoxy-isoquinolin-1-one

Systemtic Name: 2-[2-(4-hydroxyphenyl)ethyl]-3-methoxy-5-pentoxy-isoquinolin-1-one Openeye Name: 2-[2-(4-hydroxyphenyl)ethyl]-3-methoxy-5-pentoxy-isoquinolin-1-one CAS Name: 2-[2-(4-hydroxyphenyl)ethyl]-3-methoxy-5-pentoxy-1-isoquinolinone IUPAC Name: 2-[2-(4-hydroxyphenyl)ethyl]-3-methoxy-5-pentoxyisoquinolin-1-one Traditional Name: 5-amoxy-2-[2-(4-hydroxyphenyl)ethyl]-3-methoxy-isocarbostyril Formula: C23H27NO4 MolecularWeight: 381.46478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC2=C1C=C(N(C2=O)CCC3=CC=C(C=C3)O)OC

Isomeric SMILES

CCCCCOC1=CC=CC2=C1C=C(N(C2=O)CCC3=CC=C(C=C3)O)OC

InChI

InChI=1S/C23H27NO4/c1-3-4-5-15-28-21-8-6-7-19-20(21)16-22(27-2)24(23(19)26)14-13-17-9-11-18(25)12-10-17/h6-12,16,25H,3-5,13-15H2,1-2H3