2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-isoquinolin-1-one

Systemtic Name: 2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-isoquinolin-1-one Openeye Name: 2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-isoquinolin-1-one CAS Name: 2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-1-isoquinolinone IUPAC Name: 2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxyisoquinolin-1-one Traditional Name: 7-amoxy-2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-isocarbostyril Formula: C23H27NO4 MolecularWeight: 381.46478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2C=CN(C(=O)C2=C1)CCC3=CC=C(C=C3)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C2C=CN(C(=O)C2=C1)CCC3=CC=C(C=C3)O)OC

InChI

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