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

Systemtic Name: (5S,7R)-3-acetamido-N-(4,5-dimethoxy-2-methyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(4,5-dimethoxy-2-methyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(4,5-dimethoxy-2-methyl-phenyl)adamantane-1-carboxamide Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-13-5-18(27-3)19(28-4)7-17(13)23-20(26)21-8-15-6-16(9-21)11-22(10-15,12-21)24-14(2)25/h5,7,15-16H,6,8-12H2,1-4H3,(H,23,26)(H,24,25)/t15-,16+,21?,22?