1-chloranyl-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline

Systemtic Name: 1-chloranyl-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline Openeye Name: 3-[4-(2-benzyloxyethoxy)-2-methoxy-phenyl]-1-chloro-isoquinoline CAS Name: 1-chloro-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline IUPAC Name: 1-chloro-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline Traditional Name: 3-[4-(2-benzoxyethoxy)-2-methoxy-phenyl]-1-chloro-isoquinoline Formula: C25H22ClNO3 MolecularWeight: 419.90008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCCOCC2=CC=CC=C2)C3=CC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)OCCOCC2=CC=CC=C2)C3=CC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C25H22ClNO3/c1-28-24-16-20(30-14-13-29-17-18-7-3-2-4-8-18)11-12-22(24)23-15-19-9-5-6-10-21(19)25(26)27-23/h2-12,15-16H,13-14,17H2,1H3