3-[3-methoxy-4-(2-phenylmethoxyethoxy)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 3-[3-methoxy-4-(2-phenylmethoxyethoxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 3-[4-(2-benzyloxyethoxy)-3-methoxy-phenyl]-2H-isoquinolin-1-one CAS Name: 3-[3-methoxy-4-(2-phenylmethoxyethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 3-[3-methoxy-4-(2-phenylmethoxyethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(2-benzoxyethoxy)-3-methoxy-phenyl]isocarbostyril Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=CC=CC=C3C(=O)N2)OCCOCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=CC=CC=C3C(=O)N2)OCCOCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO4/c1-28-24-16-20(22-15-19-9-5-6-10-21(19)25(27)26-22)11-12-23(24)30-14-13-29-17-18-7-3-2-4-8-18/h2-12,15-16H,13-14,17H2,1H3,(H,26,27)