(5S,7R)-3-acetamido-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(2,5-diethoxy-4-morpholino-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(2,5-diethoxy-4-morpholino-phenyl)adamantane-1-carboxamide Formula: C27H39N3O5 MolecularWeight: 485.61566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C27H39N3O5/c1-4-34-23-12-22(30-6-8-33-9-7-30)24(35-5-2)11-21(23)28-25(32)26-13-19-10-20(14-26)16-27(15-19,17-26)29-18(3)31/h11-12,19-20H,4-10,13-17H2,1-3H3,(H,28,32)(H,29,31)/t19-,20+,26?,27?