(E)-7-[5-[(4-cyanophenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-[(4-cyanophenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[5-[(4-cyanophenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid CAS Name: (E)-7-[5-[(4-cyanophenyl)methoxymethyl]-4-phenyl-1-cyclopentenyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-[(4-cyanophenyl)methoxymethyl]-4-phenylcyclopenten-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[5-[(4-cyanobenzyl)oxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(C1C2=CC=CC=C2)COCC3=CC=C(C=C3)C#N)CC=CCCCC(=O)O

Isomeric SMILES

C1C=C(C(C1C2=CC=CC=C2)COCC3=CC=C(C=C3)C#N)C/C=C/CCCC(=O)O

InChI

InChI=1S/C27H29NO3/c28-18-21-12-14-22(15-13-21)19-31-20-26-24(10-4-1-2-7-11-27(29)30)16-17-25(26)23-8-5-3-6-9-23/h1,3-6,8-9,12-16,25-26H,2,7,10-11,17,19-20H2,(H,29,30)/b4-1+