[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C=CC4=CC=C(C=C4)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c24-7-8-27-20-4-1-16(2-5-20)3-6-22(26)28-15-21(25)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-6,17-19H,8-15H2/b6-3+