3-(hydroxymethyl)-2-(2-methylpropyl)-4-phenyl-6-phenylmethoxy-isoquinolin-1-one

Systemtic Name: 3-(hydroxymethyl)-2-(2-methylpropyl)-4-phenyl-6-phenylmethoxy-isoquinolin-1-one Openeye Name: 6-benzyloxy-3-(hydroxymethyl)-2-isobutyl-4-phenyl-isoquinolin-1-one CAS Name: 3-(hydroxymethyl)-2-(2-methylpropyl)-4-phenyl-6-phenylmethoxy-1-isoquinolinone IUPAC Name: 3-(hydroxymethyl)-2-(2-methylpropyl)-4-phenyl-6-phenylmethoxyisoquinolin-1-one Traditional Name: 6-benzoxy-2-isobutyl-3-methylol-4-phenyl-isocarbostyril Formula: C27H27NO3 MolecularWeight: 413.50818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)CO

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)CO

InChI

InChI=1S/C27H27NO3/c1-19(2)16-28-25(17-29)26(21-11-7-4-8-12-21)24-15-22(13-14-23(24)27(28)30)31-18-20-9-5-3-6-10-20/h3-15,19,29H,16-18H2,1-2H3