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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c24-7-8-28-20-4-1-16(2-5-20)3-6-22(27)29-15-21(26)25-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-6,17-19H,8-15H2,(H,25,26)/b6-3+