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

Systemtic Name: (E)-7-[3-(4-fluorophenyl)-1-propan-2-yl-pyrrolo[3,2-b]pyridin-2-yl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E)-7-[3-(4-fluorophenyl)-1-isopropyl-pyrrolo[3,2-b]pyridin-2-yl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: (E)-7-[3-(4-fluorophenyl)-1-propan-2-yl-2-pyrrolo[3,2-b]pyridinyl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[3,2-b]pyridin-2-yl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: (E)-7-[3-(4-fluorophenyl)-1-isopropyl-pyrrolo[3,2-b]pyridin-2-yl]-3,5-dihydroxy-hept-6-enoic acid Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F)N=CC=C2

Isomeric SMILES

CC(C)N1C2=C(C(=C1/C=C/C(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F)N=CC=C2

InChI

InChI=1S/C23H25FN2O4/c1-14(2)26-19(10-9-17(27)12-18(28)13-21(29)30)22(15-5-7-16(24)8-6-15)23-20(26)4-3-11-25-23/h3-11,14,17-18,27-28H,12-13H2,1-2H3,(H,29,30)/b10-9+