ethyl 2-[4-[(1-chloranyl-6-fluoranyl-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate

Systemtic Name: ethyl 2-[4-[(1-chloranyl-6-fluoranyl-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: ethyl 2-[4-[(1-chloro-6-fluoro-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(1-chloro-6-fluoro-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(1-chloro-6-fluoroisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(1-chloro-6-fluoro-3-isoquinolyl)-methyl-amino]phenoxy]propionic acid ethyl ester Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=NC(=C3C=CC(=CC3=C2)F)Cl

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=NC(=C3C=CC(=CC3=C2)F)Cl

InChI

InChI=1S/C21H20ClFN2O3/c1-4-27-21(26)13(2)28-17-8-6-16(7-9-17)25(3)19-12-14-11-15(23)5-10-18(14)20(22)24-19/h5-13H,4H2,1-3H3