2-[6-(4-fluorophenyl)-2,2-dimethyl-4-propan-2-yl-7-(pyridin-3-ylmethoxy)-3H-1-benzofuran-5-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: 2-[6-(4-fluorophenyl)-2,2-dimethyl-4-propan-2-yl-7-(pyridin-3-ylmethoxy)-3H-1-benzofuran-5-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: 2-[6-(4-fluorophenyl)-4-isopropyl-2,2-dimethyl-7-(3-pyridylmethoxy)-3H-benzofuran-5-yl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: 2-[6-(4-fluorophenyl)-2,2-dimethyl-4-propan-2-yl-7-(3-pyridinylmethoxy)-3H-benzofuran-5-yl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: 2-[6-(4-fluorophenyl)-2,2-dimethyl-4-propan-2-yl-7-(pyridin-3-ylmethoxy)-3H-1-benzofuran-5-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: 2-[6-(4-fluorophenyl)-4-isopropyl-2,2-dimethyl-7-(3-pyridylmethoxy)coumaran-5-yl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C32H34FNO6 MolecularWeight: 547.613863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CC(OC2=C(C(=C1C(C(=O)CC(C=C)O)C(=O)O)C3=CC=C(C=C3)F)OCC4=CN=CC=C4)(C)C

Isomeric SMILES

CC(C)C1=C2CC(OC2=C(C(=C1C(C(=O)CC(C=C)O)C(=O)O)C3=CC=C(C=C3)F)OCC4=CN=CC=C4)(C)C

InChI

InChI=1S/C32H34FNO6/c1-6-22(35)14-24(36)27(31(37)38)28-25(18(2)3)23-15-32(4,5)40-29(23)30(39-17-19-8-7-13-34-16-19)26(28)20-9-11-21(33)12-10-20/h6-13,16,18,22,27,35H,1,14-15,17H2,2-5H3,(H,37,38)