(Z)-3-[3-(1-adamantyl)-4-methoxy-phenyl]but-2-enenitrile

Systemtic Name: (Z)-3-[3-(1-adamantyl)-4-methoxy-phenyl]but-2-enenitrile Openeye Name: (Z)-3-[3-(1-adamantyl)-4-methoxy-phenyl]but-2-enenitrile CAS Name: (Z)-3-[3-(1-adamantyl)-4-methoxyphenyl]-2-butenenitrile IUPAC Name: (Z)-3-[3-(1-adamantyl)-4-methoxyphenyl]but-2-enenitrile Traditional Name: (Z)-3-[3-(1-adamantyl)-4-methoxy-phenyl]but-2-enenitrile Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO/c1-14(5-6-22)18-3-4-20(23-2)19(10-18)21-11-15-7-16(12-21)9-17(8-15)13-21/h3-5,10,15-17H,7-9,11-13H2,1-2H3/b14-5-