(Z)-6-[(2S,4S,5R)-2-phenyl-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid

Systemtic Name: (Z)-6-[(2S,4S,5R)-2-phenyl-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (Z)-6-[(2S,4S,5R)-2-phenyl-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (Z)-6-[(2S,4S,5R)-2-phenyl-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (Z)-6-[(2S,4S,5R)-2-phenyl-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[(2S,4S,5R)-2-phenyl-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=CC=C2)C3=CN=CC=C3)CC=CCCC(=O)O

Isomeric SMILES

C1[C@H]([C@H](O[C@H](O1)C2=CC=CC=C2)C3=CN=CC=C3)C/C=C\CCC(=O)O

InChI

InChI=1S/C21H23NO4/c23-19(24)12-6-2-5-10-18-15-25-21(16-8-3-1-4-9-16)26-20(18)17-11-7-13-22-14-17/h1-5,7-9,11,13-14,18,20-21H,6,10,12,15H2,(H,23,24)/b5-2-/t18-,20-,21+/m1/s1