(5S,7R)-3-bromanyl-N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(2,4,6-tritert-butylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(2,4,6-tritert-butylphenyl)adamantane-1-carboxamide Formula: C29H44BrNO MolecularWeight: 502.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44BrNO/c1-25(2,3)20-11-21(26(4,5)6)23(22(12-20)27(7,8)9)31-24(32)28-13-18-10-19(14-28)16-29(30,15-18)17-28/h11-12,18-19H,10,13-17H2,1-9H3,(H,31,32)/t18-,19+,28?,29?