[4-[(6-methoxy-7-phenylmethoxy-isoquinolin-1-yl)methylsulfinyl]-2-methyl-benzimidazol-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [4-[(6-methoxy-7-phenylmethoxy-isoquinolin-1-yl)methylsulfinyl]-2-methyl-benzimidazol-1-yl] 2,2-dimethylpropanoate Openeye Name: [4-[(7-benzyloxy-6-methoxy-1-isoquinolyl)methylsulfinyl]-2-methyl-benzimidazol-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(6-methoxy-7-phenylmethoxy-1-isoquinolinyl)methylsulfinyl]-2-methyl-1-benzimidazolyl] ester IUPAC Name: [4-[(6-methoxy-7-phenylmethoxyisoquinolin-1-yl)methylsulfinyl]-2-methylbenzimidazol-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(7-benzoxy-6-methoxy-1-isoquinolyl)methylsulfinyl]-2-methyl-benzimidazol-1-yl] ester Formula: C31H31N3O5S MolecularWeight: 557.65994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1OC(=O)C(C)(C)C)C=CC=C2S(=O)CC3=NC=CC4=CC(=C(C=C43)OCC5=CC=CC=C5)OC

Isomeric SMILES

CC1=NC2=C(N1OC(=O)C(C)(C)C)C=CC=C2S(=O)CC3=NC=CC4=CC(=C(C=C43)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C31H31N3O5S/c1-20-33-29-25(34(20)39-30(35)31(2,3)4)12-9-13-28(29)40(36)19-24-23-17-27(38-18-21-10-7-6-8-11-21)26(37-5)16-22(23)14-15-32-24/h6-17H,18-19H2,1-5H3