sodium 2-[7-ethyl-6-[[4-(4-fluorophenyl)phenyl]methyl]-3-methyl-8-oxamoyl-pyrrolo[1,2-a]pyrazin-1-yl]oxyethanoate

Systemtic Name: sodium 2-[7-ethyl-6-[[4-(4-fluorophenyl)phenyl]methyl]-3-methyl-8-oxamoyl-pyrrolo[1,2-a]pyrazin-1-yl]oxyethanoate Openeye Name: sodium 2-[7-ethyl-6-[[4-(4-fluorophenyl)phenyl]methyl]-3-methyl-8-oxamoyl-pyrrolo[1,2-a]pyrazin-1-yl]oxyacetate CAS Name: sodium 2-[[7-ethyl-6-[[4-(4-fluorophenyl)phenyl]methyl]-3-methyl-8-oxamoyl-1-pyrrolo[1,2-a]pyrazinyl]oxy]acetate IUPAC Name: sodium 2-[7-ethyl-6-[[4-(4-fluorophenyl)phenyl]methyl]-3-methyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl]oxyacetate Traditional Name: sodium 2-[7-ethyl-6-[4-(4-fluorophenyl)benzyl]-3-methyl-8-oxamoyl-pyrrolo[1,2-a]pyrazin-1-yl]oxyacetate Formula: C27H23FN3NaO5 MolecularWeight: 511.476793

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C=C(N=C(C2=C1C(=O)C(=O)N)OCC(=O)[O-])C)CC3=CC=C(C=C3)C4=CC=C(C=C4)F.[Na+]

Isomeric SMILES

CCC1=C(N2C=C(N=C(C2=C1C(=O)C(=O)N)OCC(=O)[O-])C)CC3=CC=C(C=C3)C4=CC=C(C=C4)F.[Na+]

InChI

InChI=1S/C27H24FN3O5.Na/c1-3-20-21(12-16-4-6-17(7-5-16)18-8-10-19(28)11-9-18)31-13-15(2)30-27(36-14-22(32)33)24(31)23(20)25(34)26(29)35;/h4-11,13H,3,12,14H2,1-2H3,(H2,29,35)(H,32,33);/q;+1/p-1