2-[[3-(hydroxymethyl)-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide

Systemtic Name: 2-[[3-(hydroxymethyl)-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Openeye Name: 2-[[7-hydroxy-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide CAS Name: 2-[[7-hydroxy-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide IUPAC Name: 2-[[7-hydroxy-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Traditional Name: 2-[(7-hydroxy-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Formula: C28H30N2O3 MolecularWeight: 442.5494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)O)CC3=CC=CC=C3C(=O)NCCC=CC4=CC=CC=C4)CO

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)O)CC3=CC=CC=C3C(=O)NCC/C=C/C4=CC=CC=C4)CO

InChI

InChI=1S/C28H30N2O3/c31-20-25-16-22-13-14-26(32)17-24(22)19-30(25)18-23-11-4-5-12-27(23)28(33)29-15-7-6-10-21-8-2-1-3-9-21/h1-6,8-14,17,25,31-32H,7,15-16,18-20H2,(H,29,33)/b10-6+