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

Systemtic Name: ethyl 2-[4-[(1-chloranyl-7-cyano-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: ethyl 2-[4-[(1-chloro-7-cyano-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(1-chloro-7-cyano-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(1-chloro-7-cyanoisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(1-chloro-7-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)C#N)Cl

Isomeric SMILES

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

InChI

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