methyl 2-[2-(3-chlorophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-(3-chlorophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-oxidanyl-2-phenyl-ethanoate Openeye Name: methyl 2-[2-(3-chlorophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxy-2-phenyl-acetate CAS Name: 2-[2-(3-chlorophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxy-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[2-(3-chlorophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxy-2-phenylacetate Traditional Name: 2-[2-(3-chlorophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxy-2-phenyl-acetic acid methyl ester Formula: C30H24ClNO3 MolecularWeight: 481.96946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1C2=CC=CC=C2C=C(N1C3=CC(=CC=C3)Cl)C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

COC(=O)C(C1C2=CC=CC=C2C=C(N1C3=CC(=CC=C3)Cl)C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C30H24ClNO3/c1-35-29(33)30(34,23-14-6-3-7-15-23)28-26-18-9-8-13-22(26)19-27(21-11-4-2-5-12-21)32(28)25-17-10-16-24(31)20-25/h2-20,28,34H,1H3