ethyl (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-methyl-pent-2-en-4-ynoate

Systemtic Name: ethyl (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-methyl-pent-2-en-4-ynoate Openeye Name: ethyl (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-methyl-pent-2-en-4-ynoate CAS Name: (E)-5-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]seleno]-3-methylpent-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]selanyl-3-methylpent-2-en-4-ynoate Traditional Name: (E)-5-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]seleno]-3-methyl-pent-2-en-4-ynoic acid ethyl ester Formula: C29H38O5Se MolecularWeight: 545.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C#C[Se]C1=C(C=C(C(=C1)C23CC4CC(C2)CC(C4)C3)OCOCCOC)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/C#C[Se]C1=C(C=C(C(=C1)C23CC4CC(C2)CC(C4)C3)OCOCCOC)C

InChI

InChI=1S/C29H38O5Se/c1-5-33-28(30)10-20(2)6-9-35-27-15-25(26(11-21(27)3)34-19-32-8-7-31-4)29-16-22-12-23(17-29)14-24(13-22)18-29/h10-11,15,22-24H,5,7-8,12-14,16-19H2,1-4H3/b20-10+