(5S,7R)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-3-hydroxy-adamantane-1-carboxamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H28N2O3/c1-13-4-3-5-14(2)18(13)23-17(24)11-22-19(25)20-7-15-6-16(8-20)10-21(26,9-15)12-20/h3-5,15-16,26H,6-12H2,1-2H3,(H,22,25)(H,23,24)/t15-,16+,20?,21?