methyl 2-[[2-bromanyl-4-(1H-indol-6-ylmethylcarbamoyl)phenyl]carbonylamino]-2-dimethoxyphosphoryl-ethanoate

Systemtic Name: methyl 2-[[2-bromanyl-4-(1H-indol-6-ylmethylcarbamoyl)phenyl]carbonylamino]-2-dimethoxyphosphoryl-ethanoate Openeye Name: methyl 2-[[2-bromo-4-(1H-indol-6-ylmethylcarbamoyl)benzoyl]amino]-2-dimethoxyphosphoryl-acetate CAS Name: 2-[[[2-bromo-4-[(1H-indol-6-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-2-dimethoxyphosphorylacetic acid methyl ester IUPAC Name: methyl 2-[[2-bromo-4-(1H-indol-6-ylmethylcarbamoyl)benzoyl]amino]-2-dimethoxyphosphorylacetate Traditional Name: 2-[[2-bromo-4-(1H-indol-6-ylmethylcarbamoyl)benzoyl]amino]-2-dimethoxyphosphoryl-acetic acid methyl ester Formula: C22H23BrN3O7P MolecularWeight: 552.311681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)C=CN3)Br)P(=O)(OC)OC

Isomeric SMILES

COC(=O)C(NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)C=CN3)Br)P(=O)(OC)OC

InChI

InChI=1S/C22H23BrN3O7P/c1-31-22(29)21(34(30,32-2)33-3)26-20(28)16-7-6-15(11-17(16)23)19(27)25-12-13-4-5-14-8-9-24-18(14)10-13/h4-11,21,24H,12H2,1-3H3,(H,25,27)(H,26,28)