2-[4-[(7-chloranyl-1-methoxy-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoic acid

Systemtic Name: 2-[4-[(7-chloranyl-1-methoxy-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoic acid Openeye Name: 2-[4-[(7-chloro-1-methoxy-3-isoquinolyl)-methyl-amino]phenoxy]propanoic acid CAS Name: 2-[4-[(7-chloro-1-methoxy-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid IUPAC Name: 2-[4-[(7-chloro-1-methoxyisoquinolin-3-yl)-methylamino]phenoxy]propanoic acid Traditional Name: 2-[4-[(7-chloro-1-methoxy-3-isoquinolyl)-methyl-amino]phenoxy]propionic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c1-12(20(24)25)27-16-8-6-15(7-9-16)23(2)18-10-13-4-5-14(21)11-17(13)19(22-18)26-3/h4-12H,1-3H3,(H,24,25)