(E)-7-[5-[(3-cyanophenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-[(3-cyanophenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[5-[(3-cyanophenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid CAS Name: (E)-7-[5-[(3-cyanophenyl)methoxymethyl]-4-phenyl-1-cyclopentenyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-[(3-cyanophenyl)methoxymethyl]-4-phenylcyclopenten-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[5-[(3-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=CC(=C3)C#N)CC=CCCCC(=O)O

Isomeric SMILES

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

InChI

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