(E)-7-[3-[[3-(3-iodanyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-[[3-(3-iodanyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid Openeye Name: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodo-phenyl)propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid CAS Name: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid Traditional Name: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodo-phenyl)propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid Formula: C25H36INO4 MolecularWeight: 541.46211

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)CC=CCCCC(=O)O)C

Isomeric SMILES

CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)C/C=C/CCCC(=O)O)C

InChI

InChI=1S/C25H36INO4/c1-25(2)17-13-20(25)19(7-5-3-4-6-8-24(30)31)22(14-17)27-15-18(28)11-16-9-10-23(29)21(26)12-16/h3,5,9-10,12,17-20,22,27-29H,4,6-8,11,13-15H2,1-2H3,(H,30,31)/b5-3+