methyl 4-[2-[3-(1-adamantyl)-4-(cyclopropylmethoxy)phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-(cyclopropylmethoxy)phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-(cyclopropylmethoxy)phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-(cyclopropylmethoxy)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-(cyclopropylmethoxy)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-(cyclopropylmethoxy)phenyl]ethynyl]benzoic acid methyl ester Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCC3CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCC3CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H32O3/c1-32-29(31)26-9-6-20(7-10-26)2-3-21-8-11-28(33-19-22-4-5-22)27(15-21)30-16-23-12-24(17-30)14-25(13-23)18-30/h6-11,15,22-25H,4-5,12-14,16-19H2,1H3