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

Systemtic Name: (E)-7-[2-methyl-4-[(phenylcarbamoylamino)methyl]-1,3-dioxan-2-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-methyl-4-[(phenylcarbamoylamino)methyl]-1,3-dioxan-2-yl]hept-5-enoic acid CAS Name: (E)-7-[4-[[[anilino(oxo)methyl]amino]methyl]-2-methyl-1,3-dioxan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-[2-methyl-4-[(phenylcarbamoylamino)methyl]-1,3-dioxan-2-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-methyl-4-[(phenylcarbamoylamino)methyl]-1,3-dioxan-2-yl]hept-5-enoic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCC(O1)CNC(=O)NC2=CC=CC=C2)CC=CCCCC(=O)O

Isomeric SMILES

CC1(OCCC(O1)CNC(=O)NC2=CC=CC=C2)C/C=C/CCCC(=O)O

InChI

InChI=1S/C20H28N2O5/c1-20(13-8-3-2-7-11-18(23)24)26-14-12-17(27-20)15-21-19(25)22-16-9-5-4-6-10-16/h3-6,8-10,17H,2,7,11-15H2,1H3,(H,23,24)(H2,21,22,25)/b8-3+