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

Systemtic Name: methyl (E)-7-[2-methyl-4-[(pyridin-2-ylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoate Openeye Name: methyl (E)-7-[2-methyl-4-[(2-pyridylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoate CAS Name: (E)-7-[2-methyl-4-[(2-pyridinylmethylamino)methyl]-1,3-dioxan-5-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-methyl-4-[(pyridin-2-ylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoate Traditional Name: (E)-7-[2-methyl-4-[(2-pyridylmethylamino)methyl]-1,3-dioxan-5-yl]hept-5-enoic acid methyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-16-25-15-17(9-5-3-4-6-11-20(23)24-2)19(26-16)14-21-13-18-10-7-8-12-22-18/h3,5,7-8,10,12,16-17,19,21H,4,6,9,11,13-15H2,1-2H3/b5-3+