(3R,5S)-N-(3,4-dimethylphenyl)-3,5-dimethyl-adamantane-1-carboxamide

Systemtic Name: (3R,5S)-N-(3,4-dimethylphenyl)-3,5-dimethyl-adamantane-1-carboxamide Openeye Name: (3R,5S)-N-(3,4-dimethylphenyl)-3,5-dimethyl-adamantane-1-carboxamide CAS Name: (3R,5S)-N-(3,4-dimethylphenyl)-3,5-dimethyl-1-adamantanecarboxamide IUPAC Name: (3R,5S)-N-(3,4-dimethylphenyl)-3,5-dimethyladamantane-1-carboxamide Traditional Name: (3R,5S)-N-(3,4-dimethylphenyl)-3,5-dimethyl-adamantane-1-carboxamide Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)C

InChI

InChI=1S/C21H29NO/c1-14-5-6-17(7-15(14)2)22-18(23)21-10-16-8-19(3,12-21)11-20(4,9-16)13-21/h5-7,16H,8-13H2,1-4H3,(H,22,23)/t16?,19-,20+,21?