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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H30N2O6 MolecularWeight: 442.5048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OCC(=O)N

InChI

InChI=1S/C24H30N2O6/c1-30-20-9-15(2-4-19(20)31-13-21(25)27)3-5-23(29)32-14-22(28)26-24-10-16-6-17(11-24)8-18(7-16)12-24/h2-5,9,16-18H,6-8,10-14H2,1H3,(H2,25,27)(H,26,28)/b5-3+