(5S,7R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-hydroxy-adamantane-1-carboxamide Formula: C20H23F3N2O3 MolecularWeight: 396.40343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)O)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O3/c1-11(26)24-14-2-3-16(15(5-14)20(21,22)23)25-17(27)18-6-12-4-13(7-18)9-19(28,8-12)10-18/h2-3,5,12-13,28H,4,6-10H2,1H3,(H,24,26)(H,25,27)/t12-,13+,18?,19?