2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl 2,4-bis(chloranyl)benzoate

Systemtic Name: 2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl 2,4-bis(chloranyl)benzoate Openeye Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid 2-[[1-oxo-2-(2-phenyl-2-adamantyl)ethyl]amino]ethyl ester IUPAC Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl ester Formula: C27H29Cl2NO3 MolecularWeight: 486.43006

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H29Cl2NO3/c28-22-6-7-23(24(29)15-22)26(32)33-9-8-30-25(31)16-27(19-4-2-1-3-5-19)20-11-17-10-18(13-20)14-21(27)12-17/h1-7,15,17-18,20-21H,8-14,16H2,(H,30,31)