[2,3-bis(chloranyl)phenyl] 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (2,3-dichlorophenyl) 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (2,3-dichlorophenyl) ester Formula: C21H25Cl2NO3 MolecularWeight: 410.3341

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OC4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OC4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H25Cl2NO3/c22-16-3-1-4-17(19(16)23)27-18(25)5-2-6-24-20(26)21-10-13-7-14(11-21)9-15(8-13)12-21/h1,3-4,13-15H,2,5-12H2,(H,24,26)