sodium (E)-7-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E)-7-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E)-7-[4-(4-fluorophenyl)-6-isopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E)-7-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E)-7-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E)-7-[4-(4-fluorophenyl)-6-isopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dihydroxy-hept-6-enoate Formula: C23H24FN2NaO4 MolecularWeight: 434.435833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C=CNC2=N1)C3=CC=C(C=C3)F)C=CC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C(=C2C=CNC2=N1)C3=CC=C(C=C3)F)/C=C/C(CC(CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C23H25FN2O4.Na/c1-13(2)22-18(8-7-16(27)11-17(28)12-20(29)30)21(14-3-5-15(24)6-4-14)19-9-10-25-23(19)26-22;/h3-10,13,16-17,27-28H,11-12H2,1-2H3,(H,25,26)(H,29,30);/q;+1/p-1/b8-7+;