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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5/c1-29-21-11-16(2-4-20(21)30-7-6-25)3-5-23(28)31-15-22(27)26-24-12-17-8-18(13-24)10-19(9-17)14-24/h2-5,11,17-19H,7-10,12-15H2,1H3,(H,26,27)/b5-3+