(5S,7R)-N-(3-iodanyl-4-methyl-phenyl)-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(3-iodanyl-4-methyl-phenyl)-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-3-hydroxy-N-(3-iodo-4-methyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-hydroxy-N-(3-iodo-4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-hydroxy-N-(3-iodo-4-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-hydroxy-N-(3-iodo-4-methyl-phenyl)adamantane-1-carboxamide Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)O)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)I

InChI

InChI=1S/C18H22INO2/c1-11-2-3-14(5-15(11)19)20-16(21)17-6-12-4-13(7-17)9-18(22,8-12)10-17/h2-3,5,12-13,22H,4,6-10H2,1H3,(H,20,21)/t12-,13+,17?,18?