[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] (5R,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] (5R,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] (5R,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5R,7R)-3-bromo-1-adamantanecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5R,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C19H28BrNO3 MolecularWeight: 398.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H28BrNO3/c1-13-2-4-21(5-3-13)16(22)11-24-17(23)18-7-14-6-15(8-18)10-19(20,9-14)12-18/h13-15H,2-12H2,1H3/t14-,15-,18?,19?/m1/s1