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

Systemtic Name: methyl 2-[4-[(7-chloranyl-1-methoxy-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: methyl 2-[4-[(7-chloro-1-methoxy-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(7-chloro-1-methoxy-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(7-chloro-1-methoxyisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(7-chloro-1-methoxy-3-isoquinolyl)-methyl-amino]phenoxy]propionic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-13(21(25)27-4)28-17-9-7-16(8-10-17)24(2)19-11-14-5-6-15(22)12-18(14)20(23-19)26-3/h5-13H,1-4H3