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

Systemtic Name: ethyl 2-[4-[(7-chloranyl-1-cyano-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: ethyl 2-[4-[(7-chloro-1-cyano-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(7-chloro-1-cyano-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(7-chloro-1-cyanoisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(7-chloro-1-cyano-3-isoquinolyl)-methyl-amino]phenoxy]propionic acid ethyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3/c1-4-28-22(27)14(2)29-18-9-7-17(8-10-18)26(3)21-11-15-5-6-16(23)12-19(15)20(13-24)25-21/h5-12,14H,4H2,1-3H3