2-[4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[4-(1-benzyloxycyclopropyl)-3-ethyl-phenyl]ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[4-(1-benzoxycyclopropyl)-3-ethyl-phenyl]ethynyl]phenyl]acetic acid Formula: C28H26O3 MolecularWeight: 410.50424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)CC(=O)O)C3(CC3)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)CC(=O)O)C3(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26O3/c1-2-25-18-22(11-8-21-9-12-23(13-10-21)19-27(29)30)14-15-26(25)28(16-17-28)31-20-24-6-4-3-5-7-24/h3-7,9-10,12-15,18H,2,16-17,19-20H2,1H3,(H,29,30)