[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO3/c1-13-4-14(2)19(15(3)5-13)24-18(25)11-27-20(26)21-7-16-6-17(8-21)10-22(23,9-16)12-21/h4-5,16-17H,6-12H2,1-3H3,(H,24,25)/t16-,17+,21?,22?