1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, methyl ester, benzoate (ester)
AlkaPlorer ID: AK319465
Synonym: None
IUPAC Name: methyl (1S,3R,4R,6R)-2-benzoyloxy-4-hydroxy-7-methyl-7-azabicyclo[4.1.1]octane-3-carboxylate
Structure
SMILES: COC(=O)[C@H]1C(OC(=O)C2=CC=CC=C2)[C@@H]2C[C@H](C[C@H]1O)N2C
InChI: InChI=1S/C17H21NO5/c1-18-11-8-12(18)15(14(13(19)9-11)17(21)22-2)23-16(20)10-6-4-3-5-7-10/h3-7,11-15,19H,8-9H2,1-2H3/t11-,12+,13-,14-,15?/m1/s1
InChIKey: HEDCPTRDVFFAFQ-PFNKYVCDSA-N
Source
Properties Information
Molecule Weight: 319.3570000000001
TPSA？: 76.07
MolLogP？: 0.8384999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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