methyl 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoate CAS Name: 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid methyl ester Formula: C26H26O3 MolecularWeight: 386.48284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H26O3/c1-28-25(27)23-10-7-18(8-11-23)6-9-22-4-2-3-5-24(22)29-26-15-19-12-20(16-26)14-21(13-19)17-26/h2-5,7-8,10-11,19-21H,12-17H2,1H3