(2S,3R,4S,5S,6R)-2-[1-but-3-ynyl-4-[(4-ethylphenyl)methyl]-5-methyl-pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5S,6R)-2-[1-but-3-ynyl-4-[(4-ethylphenyl)methyl]-5-methyl-pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5S,6R)-2-[1-but-3-ynyl-4-[(4-ethylphenyl)methyl]-5-methyl-pyrazol-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5S,6R)-2-[[1-but-3-ynyl-4-[(4-ethylphenyl)methyl]-5-methyl-3-pyrazolyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S,6R)-2-[1-but-3-ynyl-4-[(4-ethylphenyl)methyl]-5-methylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[1-but-3-ynyl-4-(4-ethylbenzyl)-5-methyl-pyrazol-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C23H30N2O6 MolecularWeight: 430.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N(N=C2OC3C(C(C(C(O3)CO)O)O)O)CCC#C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N(N=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCC#C)C

InChI

InChI=1S/C23H30N2O6/c1-4-6-11-25-14(3)17(12-16-9-7-15(5-2)8-10-16)22(24-25)31-23-21(29)20(28)19(27)18(13-26)30-23/h1,7-10,18-21,23,26-29H,5-6,11-13H2,2-3H3/t18-,19-,20+,21-,23+/m1/s1