methyl 3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoate

Systemtic Name: methyl 3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoate Openeye Name: methyl 3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolyl)propanoate CAS Name: 3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolinyl)propanoic acid methyl ester IUPAC Name: methyl 3-(7-chloro-2-methyl-1-oxo-3-phenylisoquinolin-4-yl)propanoate Traditional Name: 3-(7-chloro-1-keto-2-methyl-3-phenyl-4-isoquinolyl)propionic acid methyl ester Formula: C20H18ClNO3 MolecularWeight: 355.81482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=C(C=C2)Cl)CCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=C(C=C2)Cl)CCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClNO3/c1-22-19(13-6-4-3-5-7-13)16(10-11-18(23)25-2)15-9-8-14(21)12-17(15)20(22)24/h3-9,12H,10-11H2,1-2H3