(E)-7-[2-methyl-4-[(pyridin-2-ylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-methyl-4-[(pyridin-2-ylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-methyl-4-[(2-pyridylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoic acid CAS Name: (E)-7-[2-methyl-4-[(2-pyridinylmethylamino)methyl]-1,3-dioxan-5-yl]-5-heptenoic acid IUPAC Name: (E)-7-[2-methyl-4-[(pyridin-2-ylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-methyl-4-[(2-pyridylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoic acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC1OCC(C(O1)CNCC2=CC=CC=N2)CC=CCCCC(=O)O

Isomeric SMILES

CC1OCC(C(O1)CNCC2=CC=CC=N2)C/C=C/CCCC(=O)O

InChI

InChI=1S/C19H28N2O4/c1-15-24-14-16(8-4-2-3-5-10-19(22)23)18(25-15)13-20-12-17-9-6-7-11-21-17/h2,4,6-7,9,11,15-16,18,20H,3,5,8,10,12-14H2,1H3,(H,22,23)/b4-2+