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

Systemtic Name: (5S,7R)-N-(4-benzamido-2,5-dimethoxy-phenyl)-3-chloranyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(4-benzamido-2,5-dimethoxy-phenyl)-3-chloro-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(4-benzamido-2,5-dimethoxyphenyl)-3-chloro-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(4-benzamido-2,5-dimethoxyphenyl)-3-chloroadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(4-benzamido-2,5-dimethoxy-phenyl)-3-chloro-adamantane-1-carboxamide Formula: C26H29ClN2O4 MolecularWeight: 468.97246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C26H29ClN2O4/c1-32-21-10-20(22(33-2)9-19(21)28-23(30)18-6-4-3-5-7-18)29-24(31)25-11-16-8-17(12-25)14-26(27,13-16)15-25/h3-7,9-10,16-17H,8,11-15H2,1-2H3,(H,28,30)(H,29,31)/t16-,17+,25?,26?