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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-2-propenoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=CC=C(C=C4)OCC#N

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C24H27NO4/c1-16(23(27)24-13-18-10-19(14-24)12-20(11-18)15-24)29-22(26)7-4-17-2-5-21(6-3-17)28-9-8-25/h2-7,16,18-20H,9-15H2,1H3/b7-4+