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

Systemtic Name: 6-[1-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]-5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-[1-[8-(4-amino-1-piperidyl)-2-quinolyl]-5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[1-[8-(4-amino-1-piperidinyl)-2-quinolinyl]-5-[(3-methyl-3-oxetanyl)methoxy]-4-benzimidazolyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]-5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-[1-[8-(4-aminopiperidino)-2-quinolyl]-5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-4-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(C3=C(C=C2)N(C=N3)C4=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(C3=C(C=C2)N(C=N3)C4=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)15-44-21-7-6-20-24(28(21)45-31-27(40)25(38)26(39)29(46-31)30(41)42)34-16-37(20)22-8-5-17-3-2-4-19(23(17)35-22)36-11-9-18(33)10-12-36/h2-8,16,18,25-27,29,31,38-40H,9-15,33H2,1H3,(H,41,42)