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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO4/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(27)26-23/h2-12,15-16H,13-14,17H2,1H3,(H,26,27)