(3R,5S)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-3,5-dimethyl-adamantane-1-carboxamide

Systemtic Name: (3R,5S)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-3,5-dimethyl-adamantane-1-carboxamide Openeye Name: (3R,5S)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-3,5-dimethyl-adamantane-1-carboxamide CAS Name: (3R,5S)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3,5-dimethyl-1-adamantanecarboxamide IUPAC Name: (3R,5S)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3,5-dimethyladamantane-1-carboxamide Traditional Name: (3R,5S)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-3,5-dimethyl-adamantane-1-carboxamide Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C34CC5CC(C3)(CC(C5)(C4)C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C34CC5C[C@@](C3)(C[C@](C5)(C4)C)C)Cl

InChI

InChI=1S/C26H29ClN2O4/c1-16-6-20(4-5-22(16)27)33-21-8-18(7-19(9-21)29(31)32)28-23(30)26-12-17-10-24(2,14-26)13-25(3,11-17)15-26/h4-9,17H,10-15H2,1-3H3,(H,28,30)/t17?,24-,25+,26?