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

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H30N2O4/c1-30-22-6-3-2-5-21(22)7-8-24(29)31-17-23(28)27(10-4-9-26)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-3,5-8,18-20H,4,10-17H2,1H3/b8-7+