[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-2-cyano-3-(2-furyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-furyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(=CC4=CC=CO4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)/C(=C/C4=CC=CO4)/C#N

InChI

InChI=1S/C20H22N2O4/c21-11-16(7-17-2-1-3-25-17)19(24)26-12-18(23)22-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-10,12H2,(H,22,23)/b16-7+