methyl 2-[4-[(1-chloranyl-7-fluoranyl-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate

Systemtic Name: methyl 2-[4-[(1-chloranyl-7-fluoranyl-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: methyl 2-[4-[(1-chloro-7-fluoro-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(1-chloro-7-fluoro-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(1-chloro-7-fluoroisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(1-chloro-7-fluoro-3-isoquinolyl)-methyl-amino]phenoxy]propionic acid methyl ester Formula: C20H18ClFN2O3 MolecularWeight: 388.819923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O3/c1-12(20(25)26-3)27-16-8-6-15(7-9-16)24(2)18-10-13-4-5-14(22)11-17(13)19(21)23-18/h4-12H,1-3H3