6-[3-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]-6-[(3-methyloxetan-3-yl)methoxy]benzimidazol-5-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-[3-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]-6-[(3-methyloxetan-3-yl)methoxy]benzimidazol-5-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-[3-[8-(4-amino-1-piperidyl)-2-quinolyl]-6-[(3-methyloxetan-3-yl)methoxy]benzimidazol-5-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[3-[8-(4-amino-1-piperidinyl)-2-quinolinyl]-6-[(3-methyl-3-oxetanyl)methoxy]-5-benzimidazolyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-[3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]-6-[(3-methyloxetan-3-yl)methoxy]benzimidazol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-[3-[8-(4-aminopiperidino)-2-quinolyl]-6-[(3-methyloxetan-3-yl)methoxy]benzimidazol-5-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C32H37N5O9 MolecularWeight: 635.66428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC1)COC2=C(C=C3C(=C2)N=CN3C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4)OC7C(C(C(C(O7)C(=O)O)O)O)O

Isomeric SMILES

CC1(COC1)COC2=C(C=C3C(=C2)N=CN3C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4)OC7C(C(C(C(O7)C(=O)O)O)O)O

InChI

InChI=1S/C32H37N5O9/c1-32(13-43-14-32)15-44-22-11-19-21(12-23(22)45-31-28(40)26(38)27(39)29(46-31)30(41)42)37(16-34-19)24-6-5-17-3-2-4-20(25(17)35-24)36-9-7-18(33)8-10-36/h2-6,11-12,16,18,26-29,31,38-40H,7-10,13-15,33H2,1H3,(H,41,42)