[2-(2-adamantylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C23H26N2O4/c1-28-20-4-2-14(3-5-20)7-19(12-24)23(27)29-13-21(26)25-22-17-8-15-6-16(10-17)11-18(22)9-15/h2-5,7,15-18,22H,6,8-11,13H2,1H3,(H,25,26)/b19-7+