[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C26H22ClNO4 MolecularWeight: 447.91018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC=CC(=C1)CC2=CNC(=O)C3=CC=CC=C32)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)OC1=CC=CC(=C1)CC2=CNC(=O)C3=CC=CC=C32)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClNO4/c1-26(2,32-20-12-10-19(27)11-13-20)25(30)31-21-7-5-6-17(15-21)14-18-16-28-24(29)23-9-4-3-8-22(18)23/h3-13,15-16H,14H2,1-2H3,(H,28,29)