methyl 3-[2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylamino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: methyl 3-[2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 3-[2-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylamino]-2-oxo-ethyl]benzoate CAS Name: 3-[2-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylamino]-2-oxoethyl]benzoate Traditional Name: 3-[2-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylamino]-2-keto-ethyl]benzoic acid methyl ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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)CC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)CC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C27H23ClN2O4/c1-30-23(16-29-24(31)14-17-7-6-10-19(13-17)27(33)34-2)25(18-8-4-3-5-9-18)22-15-20(28)11-12-21(22)26(30)32/h3-13,15H,14,16H2,1-2H3,(H,29,31)