(3-phenylisoquinolin-4-yl)methyl 2,6-dimethoxybenzoate

Systemtic Name: (3-phenylisoquinolin-4-yl)methyl 2,6-dimethoxybenzoate Openeye Name: (3-phenyl-4-isoquinolyl)methyl 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid (3-phenyl-4-isoquinolinyl)methyl ester IUPAC Name: (3-phenylisoquinolin-4-yl)methyl 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid (3-phenyl-4-isoquinolyl)methyl ester Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO4/c1-28-21-13-8-14-22(29-2)23(21)25(27)30-16-20-19-12-7-6-11-18(19)15-26-24(20)17-9-4-3-5-10-17/h3-15H,16H2,1-2H3