1-bromanyloctane; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: 1-bromanyloctane; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: 1-bromooctane; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 1-bromooctane; 3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: 1-bromooctane; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 1-bromooctane; 3-hydroxy-2-phenyl-propionic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C25H40BrNO3 MolecularWeight: 482.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCBr.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCBr.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChI=1S/C17H23NO3.C8H17Br/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-2-3-4-5-6-7-8-9/h2-6,13-16,19H,7-11H2,1H3;2-8H2,1H3/t13-,14+,15?,16?;