[2-acetyloxy-5-(1-adamantylcarbamoyl)-3-cyano-phenyl] ethanoate

Systemtic Name: [2-acetyloxy-5-(1-adamantylcarbamoyl)-3-cyano-phenyl] ethanoate Openeye Name: [2-acetoxy-5-(1-adamantylcarbamoyl)-3-cyano-phenyl] acetate CAS Name: acetic acid [2-acetyloxy-5-[(1-adamantylamino)-oxomethyl]-3-cyanophenyl] ester IUPAC Name: [2-acetyloxy-5-(1-adamantylcarbamoyl)-3-cyanophenyl] acetate Traditional Name: acetic acid [2-acetoxy-5-(1-adamantylcarbamoyl)-3-cyano-phenyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=CC(=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C#N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=CC(=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C#N)OC(=O)C

InChI

InChI=1S/C22H24N2O5/c1-12(25)28-19-7-17(6-18(11-23)20(19)29-13(2)26)21(27)24-22-8-14-3-15(9-22)5-16(4-14)10-22/h6-7,14-16H,3-5,8-10H2,1-2H3,(H,24,27)