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

Systemtic Name: (5S,7R)-N-(5-acetamido-2-methoxy-phenyl)-3-bromanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(5-acetamido-2-methoxy-phenyl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(5-acetamido-2-methoxyphenyl)-3-bromo-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(5-acetamido-2-methoxyphenyl)-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(5-acetamido-2-methoxy-phenyl)-3-bromo-adamantane-1-carboxamide Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrN2O3/c1-12(24)22-15-3-4-17(26-2)16(6-15)23-18(25)19-7-13-5-14(8-19)10-20(21,9-13)11-19/h3-4,6,13-14H,5,7-11H2,1-2H3,(H,22,24)(H,23,25)/t13-,14+,19?,20?