N-[(1S,3R)-5-azanyl-2-adamantyl]-2-(4-chloranyl-2-methyl-phenoxy)-2-methyl-propanamide

Systemtic Name: N-[(1S,3R)-5-azanyl-2-adamantyl]-2-(4-chloranyl-2-methyl-phenoxy)-2-methyl-propanamide Openeye Name: N-[(1S,3R)-5-amino-2-adamantyl]-2-(4-chloro-2-methyl-phenoxy)-2-methyl-propanamide CAS Name: N-[(1S,3R)-5-amino-2-adamantyl]-2-(4-chloro-2-methylphenoxy)-2-methylpropanamide IUPAC Name: N-[(1S,3R)-5-amino-2-adamantyl]-2-(4-chloro-2-methylphenoxy)-2-methylpropanamide Traditional Name: N-[(1S,3R)-5-amino-2-adamantyl]-2-(4-chloro-2-methyl-phenoxy)-2-methyl-propionamide Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)(C)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)N

InChI

InChI=1S/C21H29ClN2O2/c1-12-6-16(22)4-5-17(12)26-20(2,3)19(25)24-18-14-7-13-8-15(18)11-21(23,9-13)10-14/h4-6,13-15,18H,7-11,23H2,1-3H3,(H,24,25)/t13?,14-,15+,18?,21?