(5S,7R)-3-bromanyl-N-(4-ethoxy-3-methoxy-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(4-ethoxy-3-methoxy-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(4-ethoxy-3-methoxy-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(4-ethoxy-3-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(4-ethoxy-3-methoxyphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(4-ethoxy-3-methoxy-phenyl)adamantane-1-carboxamide Formula: C20H26BrNO3 MolecularWeight: 408.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)OC

InChI

InChI=1S/C20H26BrNO3/c1-3-25-16-5-4-15(7-17(16)24-2)22-18(23)19-8-13-6-14(9-19)11-20(21,10-13)12-19/h4-5,7,13-14H,3,6,8-12H2,1-2H3,(H,22,23)/t13-,14+,19?,20?