methyl (E)-7-[2-methyl-4-(pyridin-2-ylmethoxymethyl)-1,3-dioxan-5-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-methyl-4-(pyridin-2-ylmethoxymethyl)-1,3-dioxan-5-yl]hept-5-enoate Openeye Name: methyl (E)-7-[2-methyl-4-(2-pyridylmethoxymethyl)-1,3-dioxan-5-yl]hept-5-enoate CAS Name: (E)-7-[2-methyl-4-(2-pyridinylmethoxymethyl)-1,3-dioxan-5-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-methyl-4-(pyridin-2-ylmethoxymethyl)-1,3-dioxan-5-yl]hept-5-enoate Traditional Name: (E)-7-[2-methyl-4-(2-pyridylmethoxymethyl)-1,3-dioxan-5-yl]hept-5-enoic acid methyl ester Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

CC1OCC(C(O1)COCC2=CC=CC=N2)CC=CCCCC(=O)OC

Isomeric SMILES

CC1OCC(C(O1)COCC2=CC=CC=N2)C/C=C/CCCC(=O)OC

InChI

InChI=1S/C20H29NO5/c1-16-25-13-17(9-5-3-4-6-11-20(22)23-2)19(26-16)15-24-14-18-10-7-8-12-21-18/h3,5,7-8,10,12,16-17,19H,4,6,9,11,13-15H2,1-2H3/b5-3+