1-[3-(hydroxymethyl)-5-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[3-(hydroxymethyl)-5-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[3-(hydroxymethyl)-5-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenyl-ethanone CAS Name: 1-[3-(hydroxymethyl)-5-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenylethanone IUPAC Name: 1-[3-(hydroxymethyl)-5-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenylethanone Traditional Name: 1-[5-(4-methoxyphenyl)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenyl-ethanone Formula: C31H29NO3 MolecularWeight: 463.56686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3CC(N(CC3=CC=C2)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)CO

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3CC(N(CC3=CC=C2)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)CO

InChI

InChI=1S/C31H29NO3/c1-35-27-17-15-22(16-18-27)28-14-8-13-25-20-32(26(21-33)19-29(25)28)31(34)30(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-18,26,30,33H,19-21H2,1H3