ethyl 4-acetamido-3-[(4-chloranylisoquinolin-3-yl)methylamino]benzoate

Systemtic Name: ethyl 4-acetamido-3-[(4-chloranylisoquinolin-3-yl)methylamino]benzoate Openeye Name: ethyl 4-acetamido-3-[(4-chloro-3-isoquinolyl)methylamino]benzoate CAS Name: 4-acetamido-3-[(4-chloro-3-isoquinolinyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-[(4-chloroisoquinolin-3-yl)methylamino]benzoate Traditional Name: 4-acetamido-3-[(4-chloro-3-isoquinolyl)methylamino]benzoic acid ethyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C3=CC=CC=C3C=N2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C3=CC=CC=C3C=N2)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-3-28-21(27)14-8-9-17(25-13(2)26)18(10-14)24-12-19-20(22)16-7-5-4-6-15(16)11-23-19/h4-11,24H,3,12H2,1-2H3,(H,25,26)