disodium 4-[2-[1-(4-fluorophenyl)-3-propan-2-yl-indol-2-yl]ethynyl-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate

Systemtic Name: disodium 4-[2-[1-(4-fluorophenyl)-3-propan-2-yl-indol-2-yl]ethynyl-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: disodium 4-[2-[1-(4-fluorophenyl)-3-isopropyl-indol-2-yl]ethynyl-oxido-phosphoryl]-3-hydroxy-butanoate CAS Name: disodium 4-[2-[1-(4-fluorophenyl)-3-propan-2-yl-2-indolyl]ethynyl-oxidophosphoryl]-3-hydroxybutanoate IUPAC Name: disodium 4-[2-[1-(4-fluorophenyl)-3-propan-2-ylindol-2-yl]ethynyl-oxidophosphoryl]-3-hydroxybutanoate Traditional Name: disodium 4-[2-[1-(4-fluorophenyl)-3-isopropyl-indol-2-yl]ethynyl-oxido-phosphoryl]-3-hydroxy-butyrate Formula: C23H21FNNa2O5P MolecularWeight: 487.368244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C2=CC=CC=C21)C3=CC=C(C=C3)F)C#CP(=O)(CC(CC(=O)[O-])O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)C1=C(N(C2=CC=CC=C21)C3=CC=C(C=C3)F)C#CP(=O)(CC(CC(=O)[O-])O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H23FNO5P.2Na/c1-15(2)23-19-5-3-4-6-20(19)25(17-9-7-16(24)8-10-17)21(23)11-12-31(29,30)14-18(26)13-22(27)28;;/h3-10,15,18,26H,13-14H2,1-2H3,(H,27,28)(H,29,30);;/q;2*+1/p-2