(E)-7-[2-[(4-cyanophenyl)methoxymethyl]-5-fluoranyl-3-phenyl-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(4-cyanophenyl)methoxymethyl]-5-fluoranyl-3-phenyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(4-cyanophenyl)methoxymethyl]-5-fluoro-3-phenyl-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(4-cyanophenyl)methoxymethyl]-5-fluoro-3-phenylcyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(4-cyanophenyl)methoxymethyl]-5-fluoro-3-phenylcyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(4-cyanobenzyl)oxymethyl]-5-fluoro-3-phenyl-cyclopentyl]hept-5-enoic acid Formula: C27H30FNO3 MolecularWeight: 435.530403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1F)CC=CCCCC(=O)O)COCC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C(C(C(C1F)C/C=C/CCCC(=O)O)COCC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H30FNO3/c28-26-16-24(22-8-4-3-5-9-22)25(23(26)10-6-1-2-7-11-27(30)31)19-32-18-21-14-12-20(17-29)13-15-21/h1,3-6,8-9,12-15,23-26H,2,7,10-11,16,18-19H2,(H,30,31)/b6-1+