methyl 2-[1-[(2-fluoranyl-5-propan-2-yloxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]propanoate

Systemtic Name: methyl 2-[1-[(2-fluoranyl-5-propan-2-yloxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]propanoate Openeye Name: methyl 2-[1-[(2-fluoro-5-isopropoxy-phenyl)methyl]-6,7-dimethoxy-4-isoquinolyl]propanoate CAS Name: 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinolin-4-yl]propanoate Traditional Name: 2-[1-(2-fluoro-5-isopropoxy-benzyl)-6,7-dimethoxy-4-isoquinolyl]propionic acid methyl ester Formula: C25H28FNO5 MolecularWeight: 441.491923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)F)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)C(C)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)F)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)C(C)C(=O)OC

InChI

InChI=1S/C25H28FNO5/c1-14(2)32-17-7-8-21(26)16(9-17)10-22-19-12-24(30-5)23(29-4)11-18(19)20(13-27-22)15(3)25(28)31-6/h7-9,11-15H,10H2,1-6H3