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

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid methyl ester Formula: C30H34O5 MolecularWeight: 474.58796

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H34O5/c1-20(32-2)34-19-35-28-11-8-22(5-4-21-6-9-26(10-7-21)29(31)33-3)15-27(28)30-16-23-12-24(17-30)14-25(13-23)18-30/h6-11,15,20,23-25H,12-14,16-19H2,1-3H3