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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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