[3-ethoxy-1-phenyl-4-(phenylmethyl)-1H-isoquinolin-4-yl]methyl methanesulfonate

Systemtic Name: [3-ethoxy-1-phenyl-4-(phenylmethyl)-1H-isoquinolin-4-yl]methyl methanesulfonate Openeye Name: (4-benzyl-3-ethoxy-1-phenyl-1H-isoquinolin-4-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [3-ethoxy-1-phenyl-4-(phenylmethyl)-1H-isoquinolin-4-yl]methyl ester IUPAC Name: (4-benzyl-3-ethoxy-1-phenyl-1H-isoquinolin-4-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid (4-benzyl-3-ethoxy-1-phenyl-1H-isoquinolin-4-yl)methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C2=CC=CC=C2C1(CC3=CC=CC=C3)COS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=NC(C2=CC=CC=C2C1(CC3=CC=CC=C3)COS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO4S/c1-3-30-25-26(19-31-32(2,28)29,18-20-12-6-4-7-13-20)23-17-11-10-16-22(23)24(27-25)21-14-8-5-9-15-21/h4-17,24H,3,18-19H2,1-2H3