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

Systemtic Name: (E)-3-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]but-2-enenitrile Openeye Name: (E)-3-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]but-2-enenitrile CAS Name: (E)-3-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]-2-butenenitrile IUPAC Name: (E)-3-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]but-2-enenitrile Traditional Name: (E)-3-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]but-2-enenitrile Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C(=CC#N)C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)/C(=C/C#N)/C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO3/c1-16(6-7-25)21-4-5-23(28-15-27-17(2)26-3)22(11-21)24-12-18-8-19(13-24)10-20(9-18)14-24/h4-6,11,17-20H,8-10,12-15H2,1-3H3/b16-6+