(E)-3-[3-(1-adamantyl)-4-propan-2-yloxy-phenyl]but-2-enenitrile

Systemtic Name: (E)-3-[3-(1-adamantyl)-4-propan-2-yloxy-phenyl]but-2-enenitrile Openeye Name: (E)-3-[3-(1-adamantyl)-4-isopropoxy-phenyl]but-2-enenitrile CAS Name: (E)-3-[3-(1-adamantyl)-4-propan-2-yloxyphenyl]-2-butenenitrile IUPAC Name: (E)-3-[3-(1-adamantyl)-4-propan-2-yloxyphenyl]but-2-enenitrile Traditional Name: (E)-3-[3-(1-adamantyl)-4-isopropoxy-phenyl]but-2-enenitrile Formula: C23H29NO MolecularWeight: 335.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=CC#N)C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C(=C/C#N)/C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29NO/c1-15(2)25-22-5-4-20(16(3)6-7-24)11-21(22)23-12-17-8-18(13-23)10-19(9-17)14-23/h4-6,11,15,17-19H,8-10,12-14H2,1-3H3/b16-6+