ethyl 2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[2-(4-chlorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[2-(4-chlorophenyl)-1-keto-isoquinoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C25H19ClN2O4 MolecularWeight: 446.88236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O4/c1-2-32-25(31)20-9-5-6-10-22(20)27-23(29)21-15-28(17-13-11-16(26)12-14-17)24(30)19-8-4-3-7-18(19)21/h3-15H,2H2,1H3,(H,27,29)