(5S,7R)-3-bromanyl-N-(5-tert-butyl-2-methoxy-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(5-tert-butyl-2-methoxy-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(5-tert-butyl-2-methoxy-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(5-tert-butyl-2-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(5-tert-butyl-2-methoxyphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(5-tert-butyl-2-methoxy-phenyl)adamantane-1-carboxamide Formula: C22H30BrNO2 MolecularWeight: 420.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO2/c1-20(2,3)16-5-6-18(26-4)17(8-16)24-19(25)21-9-14-7-15(10-21)12-22(23,11-14)13-21/h5-6,8,14-15H,7,9-13H2,1-4H3,(H,24,25)/t14-,15+,21?,22?