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

Systemtic Name: [2-acetyloxy-5-(1-adamantylcarbamoyl)-3-chloranyl-phenyl] ethanoate Openeye Name: [2-acetoxy-5-(1-adamantylcarbamoyl)-3-chloro-phenyl] acetate CAS Name: acetic acid [2-acetyloxy-5-[(1-adamantylamino)-oxomethyl]-3-chlorophenyl] ester IUPAC Name: [2-acetyloxy-5-(1-adamantylcarbamoyl)-3-chlorophenyl] acetate Traditional Name: acetic acid [2-acetoxy-5-(1-adamantylcarbamoyl)-3-chloro-phenyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5/c1-11(24)27-18-7-16(6-17(22)19(18)28-12(2)25)20(26)23-21-8-13-3-14(9-21)5-15(4-13)10-21/h6-7,13-15H,3-5,8-10H2,1-2H3,(H,23,26)