ethyl 2-[4-[(4-chloranylisoquinolin-3-yl)-methyl-amino]phenoxy]propanoate

Systemtic Name: ethyl 2-[4-[(4-chloranylisoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: ethyl 2-[4-[(4-chloro-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(4-chloro-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-chloroisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(4-chloro-3-isoquinolyl)-methyl-amino]phenoxy]propionic acid ethyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=C(C3=CC=CC=C3C=N2)Cl

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=C(C3=CC=CC=C3C=N2)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-4-26-21(25)14(2)27-17-11-9-16(10-12-17)24(3)20-19(22)18-8-6-5-7-15(18)13-23-20/h5-14H,4H2,1-3H3