(5S,7R)-3-bromanyl-N-(4,5-dimethoxy-2-methyl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(4,5-dimethoxy-2-methyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(4,5-dimethoxy-2-methyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(4,5-dimethoxy-2-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(4,5-dimethoxy-2-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(4,5-dimethoxy-2-methyl-phenyl)adamantane-1-carboxamide Formula: C20H26BrNO3 MolecularWeight: 408.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)Br)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)OC)OC

InChI

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