ethyl 4-[8-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H28FN2O6+ MolecularWeight: 519.540823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)C5=CC=C(C=C5)F)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)C5=CC=C(C=C5)F)O

InChI

InChI=1S/C29H27FN2O6/c1-2-36-29(35)19-3-9-22(10-4-19)38-26-18-37-28-23(27(26)34)11-12-25(33)24(28)17-31-13-15-32(16-14-31)21-7-5-20(30)6-8-21/h3-12,18,33H,2,13-17H2,1H3/p+1