(E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]prop-2-enenitrile Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]prop-2-enenitrile CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-2-propenenitrile IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enenitrile Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]acrylonitrile Formula: C25H25NO MolecularWeight: 355.4721

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)C=CC#N)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)/C=C/C#N)O

InChI

InChI=1S/C25H25NO/c26-9-1-2-17-3-5-21(6-4-17)22-7-8-24(27)23(13-22)25-14-18-10-19(15-25)12-20(11-18)16-25/h1-8,13,18-20,27H,10-12,14-16H2/b2-1+