[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25NO4/c1-14(27-19-4-2-15(12-23)3-5-19)21(25)26-13-20(24)22-9-16-6-17(10-22)8-18(7-16)11-22/h2-5,14,16-18H,6-11,13H2,1H3/t14-,16?,17?,18?,22?/m1/s1