ethyl (2S)-2-[2-[7-[(4-fluorophenyl)methyl]-9-oxidanyl-6,8-bis(oxidanylidene)pyrrolo[3,4-g]quinolin-5-yl]oxyethyl-phenoxy-phosphoryl]oxypropanoate

Systemtic Name: ethyl (2S)-2-[2-[7-[(4-fluorophenyl)methyl]-9-oxidanyl-6,8-bis(oxidanylidene)pyrrolo[3,4-g]quinolin-5-yl]oxyethyl-phenoxy-phosphoryl]oxypropanoate Openeye Name: ethyl (2S)-2-[2-[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxo-pyrrolo[3,4-g]quinolin-5-yl]oxyethyl-phenoxy-phosphoryl]oxypropanoate CAS Name: (2S)-2-[2-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxo-5-pyrrolo[3,4-g]quinolinyl]oxy]ethyl-phenoxyphosphoryl]oxypropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl]oxyethyl-phenoxyphosphoryl]oxypropanoate Traditional Name: (2S)-2-[2-[7-(4-fluorobenzyl)-9-hydroxy-6,8-diketo-pyrrolo[3,4-g]quinolin-5-yl]oxyethyl-phenoxy-phosphoryl]oxypropionic acid ethyl ester Formula: C31H28FN2O9P MolecularWeight: 622.534184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OP(=O)(CCOC1=C2C(=C(C3=C1C=CC=N3)O)C(=O)N(C2=O)CC4=CC=C(C=C4)F)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)[C@H](C)OP(=O)(CCOC1=C2C(=C(C3=C1C=CC=N3)O)C(=O)N(C2=O)CC4=CC=C(C=C4)F)OC5=CC=CC=C5

InChI

InChI=1S/C31H28FN2O9P/c1-3-40-31(38)19(2)42-44(39,43-22-8-5-4-6-9-22)17-16-41-28-23-10-7-15-33-26(23)27(35)24-25(28)30(37)34(29(24)36)18-20-11-13-21(32)14-12-20/h4-15,19,35H,3,16-18H2,1-2H3/t19-,44?/m0/s1