ethyl 4-[2-[2-[2-(1-adamantyl)oxan-2-yl]oxyphenyl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[2-[2-(1-adamantyl)oxan-2-yl]oxyphenyl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[2-[2-(1-adamantyl)tetrahydropyran-2-yl]oxyphenyl]ethynyl]benzoate CAS Name: 4-[2-[2-[[2-(1-adamantyl)-2-oxanyl]oxy]phenyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[2-(1-adamantyl)oxan-2-yl]oxyphenyl]ethynyl]benzoate Traditional Name: 4-[2-[2-[2-(1-adamantyl)tetrahydropyran-2-yl]oxyphenyl]ethynyl]benzoic acid ethyl ester Formula: C32H36O4 MolecularWeight: 484.62584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2OC3(CCCCO3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2OC3(CCCCO3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H36O4/c1-2-34-30(33)28-13-10-23(11-14-28)9-12-27-7-3-4-8-29(27)36-32(15-5-6-16-35-32)31-20-24-17-25(21-31)19-26(18-24)22-31/h3-4,7-8,10-11,13-14,24-26H,2,5-6,15-22H2,1H3