(5S,7R)-3-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-homoveratryl-adamantane-1-carboxamide Formula: C21H28BrNO3 MolecularWeight: 422.35592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)OC

InChI

InChI=1S/C21H28BrNO3/c1-25-17-4-3-14(8-18(17)26-2)5-6-23-19(24)20-9-15-7-16(10-20)12-21(22,11-15)13-20/h3-4,8,15-16H,5-7,9-13H2,1-2H3,(H,23,24)/t15-,16+,20?,21?