benzoic acid; (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: benzoic acid; (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzoic acid; (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: benzoic acid; (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) ester IUPAC Name: benzoic acid; (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: benzoic acid; (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) ester Formula: C29H37NO5 MolecularWeight: 479.60778

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CCCC(C1)C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN1CC2CCCC(C1)C2OC(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C22H31NO3.C7H6O2/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18;8-7(9)6-4-2-1-3-5-6/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3;1-5H,(H,8,9)/t16?,17?,20?,22-;/m0./s1