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

Systemtic Name: [4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl] ethanoate Openeye Name: [4-[2-[4-(1-benzyloxycyclopropyl)-3-ethyl-phenyl]ethynyl]phenyl] acetate CAS Name: acetic acid [4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl] acetate Traditional Name: acetic acid [4-[2-[4-(1-benzoxycyclopropyl)-3-ethyl-phenyl]ethynyl]phenyl] ester 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)OC(=O)C)C3(CC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H26O3/c1-3-25-19-23(10-9-22-11-14-26(15-12-22)31-21(2)29)13-16-27(25)28(17-18-28)30-20-24-7-5-4-6-8-24/h4-8,11-16,19H,3,17-18,20H2,1-2H3