methyl 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]ethanoate

Systemtic Name: methyl 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]ethanoate Openeye Name: methyl 2-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoylamino]acetate CAS Name: 2-[[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]acetate Traditional Name: 2-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoylamino]acetic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-25-17(11-23-21(28)24-12-18(26)29-2)19(13-6-4-3-5-7-13)16-10-14(22)8-9-15(16)20(25)27/h3-10H,11-12H2,1-2H3,(H2,23,24,28)