[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c26-8-1-9-28(25-13-20-10-21(14-25)12-22(11-20)15-25)23(29)17-31-24(30)7-6-18-2-4-19(16-27)5-3-18/h2-7,20-22H,1,9-15,17H2/b7-6+