(2S,3S)-1-[4-(5-hexylpyrimidin-2-yl)phenoxy]-4-phenylmethoxy-butane-2,3-diol

Systemtic Name: (2S,3S)-1-[4-(5-hexylpyrimidin-2-yl)phenoxy]-4-phenylmethoxy-butane-2,3-diol Openeye Name: (2S,3S)-1-benzyloxy-4-[4-(5-hexylpyrimidin-2-yl)phenoxy]butane-2,3-diol CAS Name: (2S,3S)-1-[4-(5-hexyl-2-pyrimidinyl)phenoxy]-4-phenylmethoxybutane-2,3-diol IUPAC Name: (2S,3S)-1-[4-(5-hexylpyrimidin-2-yl)phenoxy]-4-phenylmethoxybutane-2,3-diol Traditional Name: (2S,3S)-1-benzoxy-4-[4-(5-hexylpyrimidin-2-yl)phenoxy]butane-2,3-diol Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(COCC3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC[C@@H]([C@H](COCC3=CC=CC=C3)O)O

InChI

InChI=1S/C27H34N2O4/c1-2-3-4-6-11-22-16-28-27(29-17-22)23-12-14-24(15-13-23)33-20-26(31)25(30)19-32-18-21-9-7-5-8-10-21/h5,7-10,12-17,25-26,30-31H,2-4,6,11,18-20H2,1H3/t25-,26-/m0/s1