(3S,4S,5R,6S)-6-[4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (3S,4S,5R,6S)-6-[4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (3S,4S,5R,6S)-6-[4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (3S,4S,5R,6S)-6-[4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (3S,4S,5R,6S)-6-[4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (3S,4S,5R,6S)-6-[4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C26H31NO8 MolecularWeight: 485.52624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

Isomeric SMILES

C1C[C@H]2CC(C[C@@H]1N2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H](C(O5)C(=O)O)O)O)O

InChI

InChI=1S/C26H31NO8/c28-20-21(29)24(25(31)32)35-26(22(20)30)34-18-10-6-15(7-11-18)23(14-4-2-1-3-5-14)33-19-12-16-8-9-17(13-19)27-16/h1-7,10-11,16-17,19-24,26-30H,8-9,12-13H2,(H,31,32)/t16-,17+,19?,20-,21-,22+,23?,24?,26+/m0/s1