4-[2,4-bis(chloranyl)phenoxy]-N-[4-(hydroxymethyl)-2-adamantyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[4-(hydroxymethyl)-2-adamantyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)-2-adamantyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)-2-adamantyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)-2-adamantyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-(4-methylol-2-adamantyl)butyramide Formula: C21H27Cl2NO3 MolecularWeight: 412.34998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1C(C(C2)C3NC(=O)CCCOC4=C(C=C(C=C4)Cl)Cl)CO

Isomeric SMILES

C1C2CC3CC1C(C(C2)C3NC(=O)CCCOC4=C(C=C(C=C4)Cl)Cl)CO

InChI

InChI=1S/C21H27Cl2NO3/c22-15-3-4-19(18(23)10-15)27-5-1-2-20(26)24-21-14-7-12-6-13(9-14)17(11-25)16(21)8-12/h3-4,10,12-14,16-17,21,25H,1-2,5-9,11H2,(H,24,26)