ethyl 4-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]benzoate Openeye Name: ethyl 4-[2-(2-tetrahydropyran-2-yloxyphenyl)ethynyl]benzoate CAS Name: 4-[2-[2-(2-oxanyloxy)phenyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]benzoate Traditional Name: 4-[2-(2-tetrahydropyran-2-yloxyphenyl)ethynyl]benzoic acid ethyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2OC3CCCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2OC3CCCCO3

InChI

InChI=1S/C22H22O4/c1-2-24-22(23)19-14-11-17(12-15-19)10-13-18-7-3-4-8-20(18)26-21-9-5-6-16-25-21/h3-4,7-8,11-12,14-15,21H,2,5-6,9,16H2,1H3