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

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-benzyloxy-phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-phenylmethoxyphenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-phenylmethoxyphenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-benzoxy-phenyl]ethynyl]benzoic acid methyl ester Formula: C33H32O3 MolecularWeight: 476.60538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H32O3/c1-35-32(34)29-12-9-23(10-13-29)7-8-24-11-14-31(36-22-25-5-3-2-4-6-25)30(18-24)33-19-26-15-27(20-33)17-28(16-26)21-33/h2-6,9-14,18,26-28H,15-17,19-22H2,1H3