1-[2-(cyclopropylmethoxy)-5-ethynyl-phenyl]adamantane

Systemtic Name: 1-[2-(cyclopropylmethoxy)-5-ethynyl-phenyl]adamantane Openeye Name: 1-[2-(cyclopropylmethoxy)-5-ethynyl-phenyl]adamantane CAS Name: 1-[2-(cyclopropylmethoxy)-5-ethynylphenyl]adamantane IUPAC Name: 1-[2-(cyclopropylmethoxy)-5-ethynylphenyl]adamantane Traditional Name: 1-[2-(cyclopropylmethoxy)-5-ethynyl-phenyl]adamantane Formula: C22H26O MolecularWeight: 306.44124

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)OCC2CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C#CC1=CC(=C(C=C1)OCC2CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26O/c1-2-15-5-6-21(23-14-16-3-4-16)20(10-15)22-11-17-7-18(12-22)9-19(8-17)13-22/h1,5-6,10,16-19H,3-4,7-9,11-14H2